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Kay, Colin, Alex Smirnov, Jessica Everhart, Ciara Conway, Harry Schulz, Zhaocong Yang, Jing Yang, and Xiuxia Du. "The Metabolome of Food Knowledge Database: Development of a Nutrition Database to Support Precision Nutrition." Current Developments in Nutrition 6, Supplement_1 (June 2022): 1114. http://dx.doi.org/10.1093/cdn/nzac078.008.
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Abstract Objectives To develop a precision nutrition knowledge database, with the aim to provide individualized and actionable dietary recommendations to help prevent disease. However presently, dietary phytochemicals are poorly represented in current metabolomic databases. To address this gap, we are building a cloud-based knowledge database (KDB) named “The Metabolome of Food” (MetaboFood®) which focuses on phytochemical compositional, metabolite and pathway data. Methods MetaboFood® features P-MetDB®, a database in static tabular form, of nutritionally relevant phytochemicals and their metabolites derived from systematic literature reviews of 17 commonly consumed phytochemical-rich foods, matched to InChI key, physical and chemical properties (mass, formula) and database identifiers (i.e., PubChem ID, KEGG ID, SMILES etc.). To build MetaboFood®, information about metabolic pathways and diseases associated with these foods have been extracted from various pathway databases using APIs that these databases provide. Information can be searched in MetaboFood® and results are explored in a highly visual and interactive way, in the form of self-organizing maps, node-link diagrams, Sankey diagrams and other visual analytics techniques. Results MetaboFood® captures data on foods, their phytochemical compositions, human and microbial metabolites, and pathway and diseases linkages. Information in MetaboFood® facilitates both hypothesis generation and hypothesis testing relative to food and pathway analysis. Initial use of this database identifies significant interactions between polyphenol rich foods and numerous metabolic networks. Conclusions MetaboFood® builds on traditional food composition databases by integrating biochemical and disease pathway data with diet metabolites. A key to moving forward is building data richness, enabling greater connections between diet and health. Funding Sources Research reported in this abstract was supported by a NIEHS Human Health Exposure Analysis Resource (HHEAR) program grant under award number 1U2CES030857-01 and a NIH Nutrition for Precision Health (NPH) Metabolomics and Clinical Assay Center (MCAC) grant under the award number 1U24CA268153-01. CDK was also supported by the USDA National Institute of Food and Agriculture Hatch award (Kay-Colin; 1,011,757).
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Elkhattabi, Lamiae. "Data insights from a Moroccan phytochemical database (MPDB) derived from aromatic & medicinal plants." Bioinformation 19, no. 12 (December 31, 2023): 1217–24. http://dx.doi.org/10.6026/973206300191217.
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The geographical location of Morocco and the diversity of its topography ensure a high variability of climate conditions, ranging from humid to Saharan, and extending through subhumid, arid, and semi-arid stages. This variability offers a high floristic diversity, while the medical use of these phytochemicals has not been fully explored. Advanced computer-aided drug discovery utilizes chemical biology to accelerate the study of phytochemicals at the molecular level and discover novel therapeutic pathways. Currently, there is no online resource for phytochemicals in Morocco. Therefore, it is of interest to describe the Moroccan Phytochemicals Database (MPDB), accessible, featuring over 600 phytochemicals derived from journal articles and other reports. The web interface of the database, which is simple and easy to use, provides each phytochemical's reference, plant sources, 3D structures, and all related information. Furthermore, we provide direct links to commercially available analogs from Mcule. In addition, we provide the results of the first virtual screening against cardiovascular targets. We present these data to facilitate further exploration and exploitation of Morocco's rich phytochemical resources, and to contribute to the global understanding and application of these compounds in the medical and scientific communities.
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Ashfaq, Usman Ali, Arooj Mumtaz, Tahir ul Qamar, and Tabeer Fatima. "MAPS Database: Medicinal plant Activities, Phytochemical and Structural Database." Bioinformation 9, no. 19 (December 6, 2013): 993–95. http://dx.doi.org/10.6026/97320630009993.
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Rathaur, Pooja, and Kaid Johar SR. "Metabolism and Pharmacokinetics of Phytochemicals in the Human Body." Current Drug Metabolism 20, no. 14 (February 25, 2020): 1085–102. http://dx.doi.org/10.2174/1389200221666200103090757.
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Background: Phytochemicals are obtained from various plants and used for the treatment of diseases as both traditional and modern medicines. Poor bioavailability of phytochemicals is a major concern in applying phytochemicals as a therapeutic agent. It is, therefore, necessary to understand the metabolism and pharmacokinetics of phytochemicals for its implication as a therapeutic agent. Methods: Articles on the metabolism of phytochemicals from the PubMed database. The articles were classified into the digestion, absorption, metabolism, excretion, toxicity, and bioavailability of phytochemicals and the effect of gut microbiota on the metabolism of phytochemicals. Results: The metabolism of each phytochemical is largely dependent on the individual's digestive ability, membrane transporters, metabolizing enzymes and gut microbiota. Further, the form of the phytochemical and genetic make-up of the individual greatly influences the metabolism of phytochemicals. Conclusion: The metabolism of phytochemicals is mostly depended on the form of phytochemicals and individualspecific variations in the metabolism of phytochemicals. Understanding the metabolism and pharmacokinetics of phytochemicals might help in applying plant-based medicines for the treatment of various diseases.
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Yasmine, Syafira, Neissya Nastiti Firmanto, Annisa Maya Sabrina, and Siti Khaerunnisa. "MOLECULAR DOCKING OF CROCUS SATIVUS PHYTOCHEMICALS AGAINST INDUCIBLE NITRIC OXIDE SYNTHASE AND PHOSPHODIESTERASE-9 IN HEART FAILURE PRESERVED EJECTION FRACTION." Majalah Biomorfologi 33, no. 1 (January 10, 2023): 20–29. http://dx.doi.org/10.20473/mbiom.v33i1.2023.20-29.
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Highlights1. Heart failure preserved ejection fraction increases the mortality rate every year.2. Definitive therapy for HFpEF is not well identified.3. Crocus sativus phytochemical has anti-inflammatory and cardioprotective effects due to iNOS and PDE-9 inhibition. AbstractBackground: Heart failure preserved ejection fraction (HFpEF) is a complex disease associated with metabolic disease as a risk factor. A previous study found an association between iNOS and PDE-9 with inflammation and myocardial fibrosis in HFpEF. Objective: This study aimed to identify the potential phytochemicals of Crocus sativus (Saffron) that can inhibit protein iNOS and PDE-9 based on a molecular docking study. Material and Method: A total of fifty phytochemicals were obtained from Dr. Duke’s Phytochemical Database and IJAH IPB. Those phytochemicals were screened by using the PyRx application and followed with Lipinski’s Rule of Five screening by using SWISS Adme. Ten phytochemicals with lowest binding energy for each protein were docked and visually analyzed using Autodock 4.2 and BIOVIA Discovery Studio Visualizer 2016. Results: The best binding energy between protein-phytochemicals were -9.17 kcal/mol and -8.55 kcal/mol for iNOS and -9.17 kcal,/mol and -9.08 kcal/mol for PDE-9. Conclusion: Delphinidine and malvidin are the recommended inhibitors against iNOS and PDE-9 and must be investigated in further research.
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Rathnayake, Samith, and Samantha Weerasinghe. "Development of an Information System of Structures and Force Field Parameters of Chemical Compounds from Sri Lankan Flora." Combinatorial Chemistry & High Throughput Screening 21, no. 8 (December 17, 2018): 550–56. http://dx.doi.org/10.2174/1386207321666181010113533.
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Background: Sri Lanka offers a huge diversity of flora with a large proportion of those being endemic to the island. Both the endemic and native plants species serve as a rich bank of phytochemicals. Method: In this study, “Sri Lankan Flora” an online web-based information system of phytochemical compounds isolated from the flora of Sri Lanka was proposed. Results: The database contained 3D structures of those compounds, calculated quantitativestructure- activity relationship (QSAR) data and the GROMOS 54a7 force field parameters for each and every compound. The manually curated chemical structures, activities and force field parameters provide a possible direct avenue for computer-aided drug discovery. The present study is a continuing project with a wider goal of building up a database, not only for assisting the computeraided drug designing process, but also for other chemical applications, as the database includes structural, physical, chemical and dynamic properties of chemical compounds of the flora of Sri Lanka. The database is freely accessible at http://science.cmb.ac.lk/tools/slflora.
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Fitriani, Ika Nur, and Wiji Utami. "Potential Phytochemical Inhibitor from Allium cepa for the Medication of COVID-19 using In-Silico Approach." ALKIMIA : Jurnal Ilmu Kimia dan Terapan 4, no. 2 (April 1, 2021): 80–87. http://dx.doi.org/10.19109/alkimia.v4i2.7459.
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Infection of extreme acute respiratory syndrome coronavirus 2 triggers Coronavirus disease 2019 (COVID-19). COVID-19 has adverse consequences on persons and is getting worse in all nations. The aim of this research is to investigate the development of in-silico approach of phytochemical inhibitor used to fight COVID-19 pathway inhibition. In medicinal plants, there are many phytochemicals, however the bioactive mechanism remains uncertain. In-silico experiments offer additional evidence to confirm the inhibition of medicinal plants. Molecular docking was used to evaluate phytoconstituents from Allium cepa as COVID-19 M-pro inhibitor, compared to remdesivir (standard drug). STITCH database used to predict the interaction network process of the most potential compound. The most potential compound was oleanolic acid. Oleanolic acid with a docking score of -9.20 kcal/mol was reported as anti-COVID-19 activity. This docking score was higher than remdesivir. Oleanolic acid interacted with GLU166, CYS44, HIS41, and THR25 via the hydrogen bond. From STITCH Database, oleanolic acid interact with CASP-9, XIAP, CASP-3 signalling pathway. Oleanolic acid from Allium cepa has been reported as a possible COVID-19 M-pro inhibitor and should be studied in future studies. The experiment indicates that phytochemical inhibitor can be helpful in the medication of COVID-19.
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Zarshenas, Mohammad M., and Liselotte Krenn. "Phytochemical and Pharmacological Aspects of Salvia mirzayanii Rech. f. & Esfand." Journal of Evidence-Based Complementary & Alternative Medicine 20, no. 1 (October 19, 2014): 65–72. http://dx.doi.org/10.1177/2156587214553938.
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Salvia mirzayanii Rech. f. & Esfand is an endemic herbaceous plant belonging to the Lamiaceae family. The plant grows in the center and south of Iran and is broadly used in folk medicine. This review focuses on phytochemical and pharmacological data of S mirzayanii. Databases such as PubMed, Scopus, Web of Science, Scientific Information Database (Iranian database involving English and Persian articles), and Google Scholar were searched for terms “ Salvia mirzayanii,” “Iranian sage,” “ Marv-e-Talkh,” and “ Moor-e-Talkh” in both Persian and English up to December 10, 2013. In line with the ethnopharmacological uses, antioxidant, immunomodulatory, anti-inflammatory, antimicrobial, and insecticidal activities of different preparations of S mirzayanii have been shown in recent studies. The antimicrobial activity against human pathogenic strains has mainly been attributed to the essential oil of S mirzayanii, which in numerous analyses has been investigated either in plants of different origin or prepared by differing extraction methods. Despite the studies on antioxidant or antimicrobial activities, profound research on the toxicity or clinical properties of the herb is missing.
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LİNGFA, Lali, Aravinda TİRUMALA, and Srinivas ANKANAGARİ. "GC-MS profiling of anticancer and antimicrobial phytochemicals in the vegetative leaf, root, and stem of Withania somnifera (L.) Dunal." International Journal of Secondary Metabolite 11, no. 1 (December 15, 2023): 63–77. http://dx.doi.org/10.21448/ijsm.1256932.
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Withania somnifera has been used for a long time in traditional medicine. Its crude extract, dried powder, and purified metabolites from mature plants have shown promising therapeutic potential. To further investigate its potential, the detection of phytochemicals with anticancer and antimicrobial properties in the vegetative stage is essential. Hence, this study was done to identify phytochemical constituents using GC-MS analysis for anticancer and antimicrobial activities in the vegetative stage from methanolic extracts of stem, leaf, and root in W. somnifera. The air-dried plant parts were extracted with methanol at low pressure to concentrate using a rotary evaporator at 40°C. To identify phytochemicals, Shimadzu GCMSQP2010, Japan, was used with the NIST107.LIB database. The GC-MS identified 35 unique phytochemical peaks at the vegetative stage in W. somnifera. In leaves, the antibacterial phytochemicals included cyclotrisiloxane, hexamethyl, with a high abundance, and cyclohexasiloxane, dodecamethyl, with the least abundance. In roots, the phytochemicals 2,2-dimethoxybutane, with high abundance, and cathinone, with least abundance, were found to have antibacterial properties, whereas trans-2,3-epoxyoctane, with high abundance, and 2,2-dimethoxybutane, with least abundance, were found to have anticancer properties. In stem, the antibacterial phytoconstituents octasiloxane, 1,1,3,3,5,5,7,7,9,9,11,11,13,13,15,15-hexadecamethyl, and benzenemethanol, alpha.-(1-aminoethyl), were found to be the most abundant and least abundant, respectively, while arabinitol and pentaacetate had both anticancer and antibacterial activities. At the vegetative stage, GC-MS studies of stem, leaf, and root parts revealed the occurrence of potential phytochemicals for antibacterial and anticancer activities in W. somnifera.
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Fatima, Shehnaz, Payal Gupta, Shilpa Sharma, Ashish Sharma, and Subhash M. Agarwal. "ADMET profiling of geographically diverse phytochemical using chemoinformatic tools." Future Medicinal Chemistry 12, no. 1 (January 2020): 69–87. http://dx.doi.org/10.4155/fmc-2019-0206.
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Aim: Phytocompounds are important due to their uniqueness, however, only few reach the development phase due to their poor pharmacokinetics. Therefore, preassessing the absorption, distribution, metabolism, excretion and toxicity (ADMET) properties is essential in drug discovery. Methodology: Biologically diverse databases (Phytochemica, SerpentinaDB, SANCDB and NuBBEDB) covering the region of India, Brazil and South Africa were considered to predict the ADMET using chemoinformatic tools (Qikprop, pkCSM and DataWarrior). Results: Screening through each of pharmacokinetic criteria resulted in identification of 24 compounds that adhere to all the ADMET properties. Furthermore, assessment revealed that five have potent anticancer biological activity against cancer cell lines. Conclusion: We have established an open-access database (ADMET-BIS) to enable identification of promising molecules that follow ADMET properties and can be considered for drug development.
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Lingfa, Lali, and Srinivas Ankanagari. "GC-MS Profiling of Reproductive Stage Withania somnifera for Antimicrobial and Anticancer Phytochemicals." Biomedical and Pharmacology Journal 16, no. 1 (March 21, 2023): 197–211. http://dx.doi.org/10.13005/bpj/2601.
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Withanias omnifera also known as Indian ginseng is commonly found in India and other Southeast Asian countries. Various parts of this plant have been used as herbal medicine to treat a variety of diseases. However, there is a lacuna in the profiling of phytochemical constituents present in the different parts of the plant at reproductive stage. To identify phytochemicals present in the methanolic extracts of leaf, root, and stem parts of W. somnifera at reproductive stage using GC-MS analysis. Methods: The airdried parts of plant (leaf, stem and root) were extracted with methanol and concentrated under reduced pressure at 40°C using a rotary evaporator. The GCMSQP2010, Shimadzu, Kyoto, Japan with headspace sampler (AOC-20s) and autoinjector (AOC-20i), was used for sample analysis. The phytochemicals were identified with the database provided by National Institute Standard and Technology (NIST11LIB). The GC-MS analysis of leaf, root, and stem methanolic extracts of W. somnifera, revealed a total of eighty-two unique phytochemical peaks in the reproductive stage of the plant. Phytochemicals with antimicrobial and anticancer properties were identified in all the parts. In leaf, 2-pentanone, 5-chloro- was found to be most abundant and 2,5-dimethoxy-4-propoxy-. beta.-methyl-.beta.-nitrostyrene least abundant with antimicrobial nature, whereas, benzene, 1,1'-(1,2-ethenediyl)bis[2-methyl- was found to be most abundant and dibenzo[a,e]cyclooctene, 5,6,11,12-tetrahydro- least with anticancer property. In roots, the most abundant was benzoic acid, 3-methyl-2-trimethylsilyloxy-, trimethylsilyl ester and tris(trimethylsilyl)hydroxylamine the least abundant were identified to be antimicrobial, whereas high abundance uleine and low abundance 2-{4-[2-(4-methoxymethylphenyl)vinyl]phenyl}propan-2-olwere identified to be anticancer. In stem, acetohydroxamic acid was found to be most abundant and trans2,3,6-trimethoxy-b-methyl-b-nitrostyrene least abundant for antimicrobial nature, whereas 3-acetoxy-2,3'-bibenzo[b]thiophene was found to be anticancer phytochemical. In this study, phytochemicals with antimicrobial and anticancer properties were identified in leaf, root and stem parts of W. somnifera at reproductive stage.
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Yudhani, Ratih Dewi, Khariz Fahrurrozi, and Dono Indarto. "New Cholesteryl Ester Transfer Protein from Indonesian Herbal Plants as Candidate Treatment of Cardiovascular Disease." Open Access Macedonian Journal of Medical Sciences 10, A (November 17, 2022): 1624–29. http://dx.doi.org/10.3889/oamjms.2022.10457.
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BACKGROUND: There is a strong negative relationship between high-density lipoprotein cholesterol (HDL-C) and the risk of cardiovascular disease (CVD). Cholesterol ester transfer protein (CETP) is a glycoprotein transporter that transfers cholesterol esters to very low-density lipoprotein and low-density lipoprotein cholesterol (LDL-C). The CETP inhibitor is a new strategy against CVD because of its ability to increase HDL-C. Various Indonesian plants have not been optimally used, and in silico phytochemical screening of these plants showing potential as CETP inhibitors is still limited. AIM: This study for exploring Indonesian phytochemicals as CETP inhibitors for new CVD treatments. METHODS: We screened 457 phytochemicals registered in the herbal database and met Lipinski’s rule of five. Their molecular structures were downloaded from the PubChem database. The three-dimensional structures of CETP and dalcetrapib (the CETP inhibitor standard) were obtained from a protein data bank (http://www.rcsb.org/pdb/) with the 4EWS code and ZINC database with the ZINC03976476 code, respectively. CETP–dalcetrapib binding complexes were validated 5 times using AutoDock Vina 1.1.2 software. Interactions between CETP and phytochemicals were molecularly docked with the same software and visualized using Pymol 1.8× software. RESULTS: Dalcetrapib had a docking score of −9.22 kcal/mol and bound to CETP at Ser230 and His232 residues. The 11 phytochemicals had lower binding scores than dalcetrapib, but only L-(+)-tartaric acid, chitranone, and oxoxylopine could interact with CETP at the Ser230 residue. These are commonly found in Tamarindus indica, Plumbago zeylanica, and Annona reticulata, respectively. CONCLUSION: L-(+)-Tartaric acid, chitranone, and oxoxylopine show potential as CETP inhibitors in silico.
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Sahu, Pramod Kumar, Pranab Kishor Mohapatra, Dhanji Popatbhai Rajani, and Mukesh Kumar Raval. "Structure-based Discovery of Narirutin as a Shikimate kinase Inhibitor with Anti-tubercular Potency." Current Computer-Aided Drug Design 16, no. 5 (November 9, 2020): 523–29. http://dx.doi.org/10.2174/1573409915666191025112150.
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Background:: Shikimate pathway is essential for tubercular bacillus but it is absent in mammals. Therefore, Shikimate kinase and other enzymes in the pathway are potential targets for the development of novel anti-tuberculosis drugs. Objective:: In the present study, Shikimate kinase is selected as the target for in silico screening of phytochemicals with an aim to discover a novel herbal drug against Mycobacterium tuberculosis (Mtb). Methods:: A structure-based drug discovery approach is undertaken for the execution of the objective. Virtual screening of phytochemical database NPACT against the target, Shikimate kinase (PDB ID 3BAF), is carried out followed by toxicity and drug-likeness filtration. Finally, a lead, narirutin was selected for in vitro anti-tubercular study. Results:: Narirutin, present in citrus fruits, emerges as the lead. It is considered to be non-toxic with predicted high LD50 value, 12000 mg/kg body weight. The phytochemical is tested for its antitubercular activity in vitro. It has MIC99 62.5 μg/mL against the MtbH37Rv strain. Conclusions:: This is the first-ever report to show anti-tuberculosis potency of narirutin.
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Osafo, Newman, Kwesi Boadu Mensah, and Oduro Kofi Yeboah. "Phytochemical and Pharmacological Review of Cryptolepis sanguinolenta (Lindl.) Schlechter." Advances in Pharmacological Sciences 2017 (2017): 1–13. http://dx.doi.org/10.1155/2017/3026370.
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Ethnopharmacological Relevance. Cryptolepis sanguinolenta is a scrambling thin-stemmed shrub found in Africa. Traditionally in West Africa, it is employed in the treatment of malaria, diarrhea, and respiratory conditions. This review discusses the traditional importance as well as the phytochemical, ethnomedical, pharmacological, and toxicological importance of this plant. Materials and Methods. Excerpta Medica Database, Google Scholar, Springer, and PubMed Central were the electronic databases used to search for and filter primary studies on Cryptolepis sanguinolenta. Results. The detailed review of various studies conducted on C. sanguinolenta and some of its constituents gives an important body of proof of its potential therapeutic benefits and also of its use as a source of lead compounds with therapeutic potentials. Conclusion. The review on C. sanguinolenta is important in identifying grey areas in the research on this medicinal plant and also provides comprehensive data thus far to continue research on this plant.
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Koirala, Alisa, Agnidhar Devkota, and Meena Rajbhandari. "Phytochemical evaluation of Aglaomorpha coronans from Nepal." Scientific World 17, no. 17 (June 18, 2024): 91–98. http://dx.doi.org/10.3126/sw.v17i17.66440.
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The rhizomes of Aglaomorpha coronans is used to cure back pain by the local people of Lamjung district. The medicinal value depends on the presence of biologically active phytochemicals with drug like properties. Phytochemical evaluation of A. coronans of Nepalese origin has not been reported yet. Hence, the present study is focused on the phytochemical analysis, evaluation of antioxidant, antibacterial activities of various extracts and GC-MS profiling of ethyl acetate extract. The rhizomes were extracted with the hexane, chloroform, ethylacetate, methanol and 50% aqueous methanol. Phytochemical screening of ethyl acetate, methanol and 50% aqueous methanol extracts showed the presence of phenolics, flavonoids, tannins and sugar. Their total content as well as antioxidant activity were determined. The highest amounts of phenolics, flavonoids and tannins were detected in the ethyl acetate extract (292.144±1.829 mg GAE/g, 322.904±3.942 mg CE/g, 516.666±0.423 mg TAE/g). The highest amounts of sugars were detected in the methanol extract (205.649±0.169mg GE/g). In DPPH radical scavenging assay, ethyl acetate extract showed the highest activity (IC50 37.545 μg/ml). The chloroform, ethyl acetate and methanol extracts showed antibacterial activity against S. aureus. GC-MS analysis of ethyl acetate extract showed the presence of more than 20 compounds. However, 9 compounds, mainly polyol, low molecular weight phenolic acids and terpenes/sterols were identified by comparing the mass fragmentation pattern of each compound with the standard NIST mass spectral database. The presence of 3,4-dihydroxy benzoic acid, Olean-13(18)-ene and β-sitosterol justifies the anti-inflammatory and analgesic properties of A. coronans in traditional medicine.
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Harrison, Andrew M., Fabrice Heritier, Bennett G. Childs, J. Michael Bostwick, and Mikhail A. Dziadzko. "Systematic Review of the Use of Phytochemicals for Management of Pain in Cancer Therapy." BioMed Research International 2015 (2015): 1–8. http://dx.doi.org/10.1155/2015/506327.
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Pain in cancer therapy is a common condition and there is a need for new options in therapeutic management. While phytochemicals have been proposed as one pain management solution, knowledge of their utility is limited. The objective of this study was to perform a systematic review of the biomedical literature for the use of phytochemicals for management of cancer therapy pain in human subjects. Of an initial database search of 1,603 abstracts, 32 full-text articles were eligible for further assessment. Only 7 of these articles met all inclusion criteria for this systematic review. The average relative risk of phytochemical versus control was 1.03 [95% CI 0.59 to 2.06]. In other words (although not statistically significant), patients treated with phytochemicals were slightly more likely than patients treated with control to obtain successful management of pain in cancer therapy. We identified a lack of quality research literature on this subject and thus were unable to demonstrate a clear therapeutic benefit for either general or specific use of phytochemicals in the management of cancer pain. This lack of data is especially apparent for psychotropic phytochemicals, such as theCannabisplant (marijuana). Additional implications of our findings are also explored.
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Salehi, Bahare, Pia Lopez-Jornet, Eduardo Pons-Fuster López, Daniela Calina, Mehdi Sharifi-Rad, Karina Ramírez-Alarcón, Katherine Forman, et al. "Plant-Derived Bioactives in Oral Mucosal Lesions: A Key Emphasis to Curcumin, Lycopene, Chamomile, Aloe vera, Green Tea and Coffee Properties." Biomolecules 9, no. 3 (March 17, 2019): 106. http://dx.doi.org/10.3390/biom9030106.
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Oral mucosal lesions have many etiologies, including viral or bacterial infections, local trauma or irritation, systemic disorders, and even excessive alcohol and tobacco consumption. Folk knowledge on medicinal plants and phytochemicals in the treatment of oral mucosal lesions has gained special attention among the scientific community. Thus, this review aims to provide a brief overview on the traditional knowledge of plants in the treatment of oral mucosal lesions. This review was carried out consulting reports between 2008 and 2018 of PubMed (Medline), Web of Science, Embase, Scopus, Cochrane Database, Science Direct, and Google Scholar. The chosen keywords were plant, phytochemical, oral mucosa, leukoplakia, oral lichen planus and oral health. A special emphasis was given to certain plants (e.g., chamomile, Aloe vera, green tea, and coffea) and plant-derived bioactives (e.g., curcumin, lycopene) with anti-oral mucosal lesion activity. Finally, preclinical (in vitro and in vivo) and clinical studies examining both the safety and efficacy of medicinal plants and their derived phytochemicals were also carefully addressed.
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Wang, Jingwei, Ling Peng, Lu Jin, Huiying Fu, and Qiyang Shou. "Network Pharmacology Analysis of the Identification of Phytochemicals and Therapeutic Mechanisms of Paeoniae Radix Alba for the Treatment of Asthma." Journal of Immunology Research 2021 (September 14, 2021): 1–11. http://dx.doi.org/10.1155/2021/9659304.
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Background. Paeoniae Radix Alba (PRA), the root of the plant Paeonia lactiflora Pall., has been suggested to play an important role for the treatment of asthma. A biochemical understanding of the clinical effects of Paeoniae Radix Alba is needed. Here, we explore the phytochemicals and therapeutic mechanisms via a systematic and comprehensive network pharmacology analysis. Methods. Through TCMSP, PubChem, GeneCards database, and SwissTargetPrediction online tools, potential targets of active ingredients from PRA for the treatment of asthma were obtained. Cytoscape 3.7.2 was used to determine the target of active ingredients of PRA. Target protein interaction (PPI) network was constructed through the STRING database. The Gene Ontology (GO) biological process and Kyoto Encyclopedia of Genes and Genes (KEGG) pathway enrichment analysis were analyzed through the biological information annotation database (DAVID). Results. Our results indicate that PRA contains 21 candidate active ingredients with the potential to treat asthma. The enrichment analysis of GO and KEGG pathways found that the treatment of asthma by PRA may be related to the process of TNF (tumor necrosis factor) release, which can regulate and inhibit multiple signaling pathways such as ceramide signaling. Conclusions. Our work provides a phytochemical basis and therapeutic mechanisms of PRA for the treatment of asthma, which provides new insights on further research on PRA.
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Umamahesh, Katike, Arumugam D. Gandhi, and Obulam V. S. Reddy. "Ethnopharmacological Applications of Mango (Mangiferaindica L.) Peel - A Review." Current Pharmaceutical Biotechnology 21, no. 13 (November 28, 2020): 1298–303. http://dx.doi.org/10.2174/1389201021666200420075759.
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Background: Mango peel is a major by-product of mango (Mangifera Indica L.) fruit that belongs to the Anacardiaceae family. It is a tropical or subtropical fruit and is a potent source of polyphenolic contents. In traditional medicines, mango peel extract has been commonly used, either singly or in combination with other plant extracts against different ailments since ancient times. Methods: An electronic database search for accepted articles in Pubmed, Google Scholar, Researchgate, Google, Scopus and Science Direct was used to review the scientific inputs by searching appropriate keywords. Some information was obtained from books and databases on medicinal plants used in different periods. Results: Numerous reports revealed that mango peel contains a wide spectrum of phytochemical compounds like polyphenolics and flavonoids. A mango peel is a potential source of antioxidant, antiinflammatory, antidiabetic, antibacterial and antiproliferative properties. This review suggests that mango peel could be a potential drug to treat various clinical conditions in the future. Conclusion: In this review, a number of phytochemicals have been summarized for their pharmacological properties and the mechanisms of action, and the possible potential therapeutic applications of mango peel against various diseases are also discussed.
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Christopher Busayo Olowosoke, Adebola Abosede Alaba, and Benjamin Babatunde Adegboyega. "Citrullus lanatus natural product library: A hoard of viable potential inhibitor candidates for diabetes mellitus type II therapeutic target enzymes." World Journal of Advanced Research and Reviews 15, no. 1 (July 30, 2022): 534–60. http://dx.doi.org/10.30574/wjarr.2022.15.1.0713.
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The ethnomedicinal function of several cucurbit species (cucumber, squash, melon, gourd, etc.) on diseases (i.e. diabetes, microbial infections, cancer, etc.), and as free radical scavengers have been reported. However, there remains infinitesimal record on citron watermelon broad use, which reflects the reason for wide oversight of underutilization, from lack of recognition for functional food crop development and commercialization. The objective of this study focus towards identifying the natural phytochemicals of C. lanatus on water melon molecules online database for insilico computational approach to screened for suitable antidiabetic lead, and construction of phylogenetic relatedness of target Type 2 Diabetes Mellitus proteins was conducted to predict reoccurrence of insilico analysis output with other homologous target proteins. The T2DM protein targets, phytochemical and standard inhibitory drugs are mined from different databases. Insilico docking analysis, and adme/toxicity profiling was virtually screened for the best fit. In additionally, phylogenetic relationship of the target proteins was aligned and construction with other homologous protein targets to predict the reoccurrence confidence of results on compounds. Seventeen phytochemicals out of the nineteen potential drug candidates substantially passed the profiling test. Also, homologous protein targets with > 90% bootstrap confidence are likely to produce a reoccurring insilico result. Thus, these phytochemicals fulfil all the enlisted criteria and it is suggestively determined to be suitable for the development of potent antidiabetic drugs. It is evident that phytochemicals from Citrullus lanatus produced satisfactory insilico output, and this reflect it to be a probable reservoir containing other potential therapeutic drug candidates for antidiabetic drug discovery and development. Additionally, derivatives can be developed for further effective screening result.
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Pathania, Shivalika, Sai Mukund Ramakrishnan, and Ganesh Bagler. "Phytochemica: a platform to explore phytochemicals of medicinal plants." Database 2015 (2015): bav075. http://dx.doi.org/10.1093/database/bav075.
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Sankaranarayanan, Pranaya, Dicky John Davis G, Abhinand PA, M. Manikandan, and Arabinda Ghosh. "Molecular docking and MD simulation approach to identify potential phytochemical lead molecule against triple negative breast cancer." F1000Research 13 (October 24, 2024): 1271. http://dx.doi.org/10.12688/f1000research.155657.1.
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Background Triple-negative breast cancers are defined as tumors that lack the expression of the estrogen receptor (ER), progesterone receptor (PR), and human epidermal growth factor receptor 2 (HER2). It exhibits unique clinical and pathological features, is highly aggressive, and has a relatively poor prognosis and poor clinical outcome. Objective To identify a novel drug target protein against triple-negative breast cancer (TNBC) and potential phytochemical lead molecules against novel drug targets. Methods In this study, we retrieved TNBC samples from NGS and microarray datasets in the Gene Expression Omnibus database and employed a combination of differential gene expression studies, protein-protein interaction analysis, and network topology investigation to identify the target protein. Using molecular docking and molecular dynamics simulation studies, followed by Molecular Mechanics with Generalised Born Surface Area solvation, a potential lead molecule was identified. Result The androgen receptor (AR) was found to be the target protein, and 2-hydroxynaringenin was discovered to be a possible phytochemical lead molecule to combat TNBC. Upregulated genes with LogFC > 1.25 and P-value < 0.05 from the TNBC gene expression dataset were given to STRING tool to investigate the network topology, and androgen receptor (AR) was found to be an appropriate hub gene in the protein-protein interaction network. Phytochemicals that inhibit breast cancer were retrieved from the PubChem database and virtual screening was performed using PyRx against the AR protein. Based on Lipinski’s rule and ADMET properties, molecular interaction studies were analyzed using induced fit docking, wherein significant binding interactions were displayed by 2-hydroxynaringenin. Molecular dynamics studies and MM-GBSA of AR and the 2-hydroxynaringenin complex revealed strong and stable interactions. Conclusion AR was identified as a hub protein that is highly expressed in breast cancer and 2-hydroxynaringenin efficacy of counter TNBC needs to be investigated further in vitro and in vivo.
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Adase, Emmanuel, Peter Ankutse, Doris Kumadoh, Mary-Ann Archer, Michael O. Kyene, Genevieve N. Yeboah, and David Okata Asamoah Agyare. "“A Review of Parquetina nigrescens (Afzel.) Bullock, A Plant for Traditional Medicine: Phytochemical and Pharmacological Properties”." Evidence-Based Complementary and Alternative Medicine 2022 (November 16, 2022): 1–21. http://dx.doi.org/10.1155/2022/6076707.
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The development of herbal medicines as a remedy for several illnesses has been recognized and accepted worldwide by health experts. Parquetina nigrescens is a perennial evergreen woody climber from the Apocynaceae family, widely used in Africa for the treatment of many diseases. The current study is intended to review and put together information available on this ethno-medicinal plant, which will improve scientific knowledge about the plant and also identify research areas that need to be investigated further. The information related to the plant was obtained using scientific databases such as Google scholar, WebMD, Wiley, Science direct, Cochrane database, student thesis, PubMed, and Scopus to obtain relevant literature regarding the botanical descriptions and distribution of the plant, traditional uses, phytochemicals, active compounds isolated from the plant, and pharmacological properties of P. nigrescens. Several traditional uses for different parts of the plant (leaves, stem bark, roots, leaf sap, flowers, and latex) have been presented. A review of the phytochemical composition of different plant parts revealed the presence of reducing sugars, flavonoids, tannins, alkaloids, cardiac glycosides, steroids, coumarin, anthraquinones, terpenoids, and saponins. Many studies also highlighted pharmacological activities related to P. nigrescens, including antianemic and haematological activity, antidiabetic, anti-inflammatory, antipyretic, analgesic, antiasthmatic, antimicrobial, insecticidal, neurotoxic, cytotoxic, antityphoid, antipolycystic ovarian syndrome activity, antilipidemic, and memory-enhancing activity. It is recommended that further in-vivo and clinical studies be conducted on the plant for the development of novel drugs.
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Purba, Febi Anjaini, Diky Setya Diningrat, Ayu Nirmala Sari, Novita Sari Harahap, and Kusdianti -. "Antiviral Compounds Analysis in Ethanol and Methanol Extracts of Jamblang Fruit (Syzygium cumini) Using the GCMS Method." Kalwedo Sains (KASA) 2, no. 2 (September 30, 2021): 83–94. http://dx.doi.org/10.30598/kasav2i2p83-94.
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Jamblang fruit (Syzygium cumini) is a plat that has been scientifically researched to have medicinal properties.This study aims to determine the content of bioactive compounds contained in the petiole by Gas Chromathography Mass Spectrophotometer (GCMS) method. The study used gas chromatographic tools and mass spectra which were evaluated using MASSLAB program. The data obtained from the GCMS machine is then analyzed using the NCBI database pubchem software (https://pubchem.ncbi.nlm.nih.gov/). The result showed that there were 61 phytochemical compounds in jamblang root ethanol extracts and 33 compounds in jambang fruit methanol extracts. Then 4 of them being the same compound, located in each of the extract. Of the total bioactive compounds, there are 5 phytochemical compounds that are useful as antiviral with details, 2 from the extract ethanol of jamblang and 2 from the extract methanol of jamblang. The results of this study can be used as the foundation in the development program of the potential utilization of bioassemblance of jamblang plants. In further research it is necessary to analyze the other parts of the plant and make comparisons to complete the available database.
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-, Winarsih, Diky Setya Diningrat, Ayu Nirmala Sari, Novita Sari Harahap, and Kusdianti -. "Antiviral Potential Analysis of Jamblang Seed Essential Oil (Syzygium cumini) Using GCMS." Kalwedo Sains (KASA) 2, no. 2 (September 30, 2021): 95–105. http://dx.doi.org/10.30598/kasav2i2p95-105.
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Jamblang (Syzygium cumini) essential oil is another form of extraction to explore its potential medicinal properties. This study aims to determine the content of bioactive compounds contained in seed essential oil using the Gas Chromatography Mass Spectophotometer (GCMS) approach. Jamblang seed essential oil is produced through a steam distillation process. The results of the GCMS analysis were evaluated using the MASSLAB program. The data obtained from the GCMS tool was then further analyzed using the PubChem NCBI database software (https://pubchem.ncbi.nlm.nih.gov/) and PASS online. The results of this study indicate that there are 61 phytochemical compounds in jamblang seed essential oil. Of the total bioactive compounds, there are 2 phytochemical compounds that are useful as antivirals, while those that have similarities above 80% are 10 compounds. The results of this study can be used as a basis for a program to develop the potential use of bioactive compounds in jamblang seed essential oil as an antiviral. In future research, it is necessary to analyze other plant parts and make comparisons to complete the existing database.
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N, Mishra D., Gomare K. S, and Sheelwant S. V. "GC-MS Analysis and Phytochemical Screening of Indigofera tinctoria (Linn.) Leaf Extract Characterizing its Medicinal Use." International Journal of Ayurvedic Medicine 11, no. 2 (July 3, 2020): 289–99. http://dx.doi.org/10.47552/ijam.v11i2.1540.
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Indigofera tinctoria (Linn.), a perennial shrub belongs to the family Fabaceae (Leguminosae) is well known in Indian system of medicines for its traditional uses. The present study was carried to find out the possible bioactive components in the leaves of this plant in ethanol extract by Gas Chromatography-Mass Spectrometry (GC-MS) analysis and the therapeutic uses of each compound as per PASS and other database. The mass spectra of the extract found compounds that were matched with the National Institute of Standards and Technology (NIST version 5.7.1) library database. The GC-MS study observed different peaks as per retention time and then those peaks were analysed determining presence of 26 phytochemical compounds. The qualitative phytochemical screening done by routine laboratory methods also indicated presence of these bioactive compound groups like alkaloids, flavonoids, tannins and phenols, saponins, glycosides and terpenoids. These 26 compounds are understood to have different therapeutic activities as per in-silico databases, e.g. 2-Acetylamino-3-hydroxy-propionoic acid (glutamic acid) - used as Anti-diarrheal, Antiviral, Antipyretic, Protein synthesis inhibitor, Antidiabetic, Non-steroidal, Anti-inflammatory agent, Antipsoriatic, Antioxidant, Antifungal, Antineoplastic (sarcoma), Antiparasitic, Antibiotic Aminoglycoside-like, Antiseborrheic, Anticataract, Antithyroid, Anticarcinogenic, Antileprosy, Hair growth stimulant, Lipoprotein lipase inhibitor, Dermatologic, Testosterone, Antituberculosic, Antirickettsial, Antianemic, etc. activities. Hence, Indigofera tinctoria is an excellent source of phytocompounds, which help to heal various diseases and health complications in human beings. The use of this plant in traditional methods for the treatment of such diseases appears scientifically relevant as per the therapeutic activity data of its bioactive compounds.
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Kumari, Amulya, Amit Patnaik, Vinay Oraon, and Latika Sharan. "GC-MS profiling of phytochemicals present in ethanolic extract of Bauhinia variegata L. Leaves." South Asian Journal of Experimental Biology 13, no. 3 (June 22, 2023): 173–80. http://dx.doi.org/10.38150/sajeb.13(3).p173-180.
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Bauhinia variegata L. is an ethnomedicinal plant belonging to the family Fabaceae and subfamily Caesalpiniaceae; commonly known as Kachnar, Mountain ebony, Koinar saag and Orchid tree. It is native to China, Indian-subcontinent and South eastern Asia. Ethnomedicinally it is used for the treatment of diarrhoea, mouth ulcer, hepatomegaly, tonsilitis, cyst and fibroid in uterus, burning sensation in urine and diabetes. It has pharmacological properties like antimicrobial, antioxidant, antidiabetic, anticancer, anti-inflammatory and hepatoprotective. For present study ethanolic extract was prepared using cold extraction method. For the identification of phytochemicals prepared extract was subjected to GC-MS analysis. The obtained spectra of GC-MS were analysed and compared with the GC-MS spectra database of online Wiley library and NIST (National Institute of Standard and Technology) to identify the phytochemical compounds. A total of 33 compounds were isolated, out of which Neophytadiene was present in highest %; Palmidrol and 2,6,10,14,18-PENTAMETHYL-2,6,10,14,18-ICOSAPENT in lowest %. Major phytochemicals identified from GC-MS spectra are Neophytadiene (25.19), Phytol (13.07) and gamma-Sitosterol (10.97). Identified phytochemicals belong to different compound classes of flavonoids, steroids, alkaloids, glycosides, and terpenoids. Most of the identified compounds are biologically active compounds which can be potential drug agents for control and treatment of various ailments.
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Sheokand, Deepak, Annu Grewal, Vivek Kumar, Raveena Chauhan, Vandana Saini, and Ajit Kumar. "In Silico Evaluation of Marine Phytochemicals as Potential Inhibitors of Inhibitor-Kappa B Protein Kinase (IκK) for Alzheimer’s Disease Therapeutics." Biosciences Biotechnology Research Asia 21, no. 3 (September 30, 2024): 1063–76. http://dx.doi.org/10.13005/bbra/3286.
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ABSTRACT: Alzheimer's disease (AD) is a polygenic, progressive neurodegenerative condition that leads to cognitive and behavioural impairment. The drugs available for AD have been found vital for symptomatic cognitive treatment, but cannot treat or slow down the disease's progression, besides having severe side effects. Plants have been extensively used in traditional medicine, and marine phytochemicals have also been proven as a legitimate solution for several ailments. This study was carried out to screen marine phytochemicals for AD therapy and neuroinflammation by focusing on inhibiting the neuroinflammatory pathway involved in AD progression and nervous system degeneration using IκK as the therapeutic target protein. Virtual screening of 2583 marine phytochemicals retrieved from the Comprehensive Marine Natural Products Database (CMNPD) was performed for Lipinski's rule, ADME/T profiling, Blood-brain permeability and molecular docking studies using IκK as the target receptor and Curcumin as the standard inhibitor of IκK. Seven marine phytochemicals (CMNPD IDs: CMNPD25050, CMNPD793, CMNPD18964, CMNPD14904, CMNPD31514, CMNPD24296) showed better binding affinity when docked against IκK as compared to the standard compound Curcumin and are the potential lead molecules to be further evaluated for AD therapy. Molecular dynamics simulations were also performed to investigate the binding interactions and stability of the top-hit marine phytochemical CMNPD25050 (8,11-dihydro-1-methoxy laurokamuren-12-ol) with the IκK target protein.
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Hakim, Iman A., Vern Hartz, Ellen Graver, Robin Whitacre, and David Alberts. "Development of a questionnaire and a database for assessing dietary D-limonene intake." Public Health Nutrition 5, no. 6a (December 2002): 939–45. http://dx.doi.org/10.1079/phn2002371.
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AbstractObjective:Increasing recognition of the potential importance of phytochemicals in the aetiology of cancer and heart diseases has highlighted the need for methods to measure individual phytochemical consumption that are sufficiently simple to be used in large epidemiological studies and whose reproducibility and accuracy have been quantified. D-Limonene is a natural component of a variety of foods and beverages and is found mainly in citrus fruits. However, D-limonene is not assessed by any nationally available analysis database.Design:We designed our study to assess the D-limonene content of different citrus juices and beverages and to develop a dietary assessment instrument to measure consumption of citrus foods (fruit, juice and peel) and D-limonene intake and test it for reliability.Subjects and methods:A total of 120 citrus juice samples were analysed and used to develop the preliminary D-limonene database. A self-administered citrus food-frequency questionnaire was developed and administered twice to participants, separated by a 2-month interval. The questionnaire was tested for reproducibility of estimates of citrus food consumption and D-limonene intake among 120 participants.Results:Correlation coefficients between the two administrations of the questionnaire ranged from 0.50 for citrus peel use to 0.82 for orange juice. Mean intakes (range) of D-limonene from citrus juices among consumers were 13.0 (0.24–141.9) mg day−1 and 13.2 (0.07–83.9) mg day−1 (r = 0.60, P < 0.001).Conclusion:The citrus frequency questionnaire developed in this study provided highly reproducible estimates of citrus foods, citrus peel and D-limonene intakes. This instrument may be a useful tool in studies of the associations between citrus peel use, D-limonene intake and risk for chronic disease.
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Clifford, Tom, Jarred P. Acton, Stuart P. Cocksedge, Kelly A. Bowden Davies, and Stephen J. Bailey. "The effect of dietary phytochemicals on nuclear factor erythroid 2-related factor 2 (Nrf2) activation: a systematic review of human intervention trials." Molecular Biology Reports 48, no. 2 (January 30, 2021): 1745–61. http://dx.doi.org/10.1007/s11033-020-06041-x.
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AbstractWe conducted a systematic review of human trials examining the effects of dietary phytochemicals on Nrf2 activation. In accordance with the PRISMA guidelines, Medline, Embase and CAB abstracts were searched for articles from inception until March 2020. Studies in adult humans that measured Nrf2 activation (gene or protein expression changes) following ingestion of a phytochemical, either alone or in combination were included. The study was pre-registered on the Prospero database (Registration Number: CRD42020176121). Twenty-nine full-texts were retrieved and reviewed for analysis; of these, eighteen were included in the systematic review. Most of the included participants were healthy, obese or type 2 diabetics. Study quality was assessed using the Cochrane Collaboration Risk of Bias Assessment tool. Twelve different compounds were examined in the included studies: curcumin, resveratrol and sulforaphane were the most common (n = 3 each). Approximately half of the studies reported increases in Nrf2 activation (n = 10); however, many were of poor quality and had an unclear or high risk of bias. There is currently limited evidence that phytochemicals activate Nrf2 in humans. Well controlled human intervention trials are needed to corroborate the findings from in vitro and animal studies.
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Alnuqaydan, Abdullah M., and Bilal Rah. "Tamarix articulata (T. articulata) - An Important Halophytic Medicinal Plant with Potential Pharmacological Properties." Current Pharmaceutical Biotechnology 20, no. 4 (May 28, 2019): 285–92. http://dx.doi.org/10.2174/1389201020666190318120103.
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Background:Tamarix Articulata (T. articulata), commonly known as Tamarisk or Athal in Arabic region, belongs to the Tamaricaece species. It is an important halophytic medicinal plant and a good source of polyphenolic phytochemical(s). In traditional medicines, T. articulata extract is commonly used, either singly or in combination with other plant extracts against different ailments since ancient times.Methods:Electronic database survey via Pubmed, Google Scholar, Researchgate, Scopus and Science Direct were used to review the scientific inputs until October 2018, by searching appropriate keywords. Literature related to pharmacological activities of T. articulata, Tamarix species, phytochemical analysis of T. articulata, biological activities of T. articulata extracts. All of these terms were used to search the scientific literature associated with T. articulata; the dosage of extract, route of administration, extract type, and in-vitro and in-vivo model.Results:Numerous reports revealed that T. articulata contains a wide spectrum of phytochemical(s), which enables it to have a wide window of biological properties. Owing to the presence of high content of phytochemical compounds like polyphenolics and flavonoids, T. articulata is a potential source of antioxidant, anti-inflammatory and antiproliferative properties. In view of these pharmacological properties, T. articulata could be a potential drug candidate to treat various clinical conditions including cancer in the near future.Conclusion:In this review, the spectrum of phytochemical(s) has been summarized for their pharmacological properties and the mechanisms of action, and the possible potential therapeutic applications of this plant against various diseases discussed.
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Muhammad Taher, Muhammad Taher, Najah Fatehah Mohd Razali, Deny Susanti Deny Susanti, Md Atiar Rahman, Muh Ade Artasasta, and Zainul Amiruddin Zakaria. "Phytochemical Constituents and Pharmacological Activities of Picrasma javanica: Quassinoids Interest." Sains Malaysiana 51, no. 3 (March 31, 2022): 757–74. http://dx.doi.org/10.17576/jsm-2022-5103-10.
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Picrasma javanica Blume is a plant belonging to Simaroubaceae. It is known for its secondary metabolites, namely quassinoids, offering various pharmacological properties including antitumor, antimalarial, and antiviral. The plant is traditionally used as a source medicine for different diseases in Myanmar, Thailand, and Indonesia. Despite the extensive studies on P. javanica, there is no concise and conclusive information regarding the phytochemical and phytochemistry of the plant has been reported. Thus, we aimed to discern the phytochemical constituents and pharmacological activities of P. javanica. The phytochemical constituents and pharmacological benefits of P. javanica were reviewed and supported from previous in vivo and in vitro studies. The literature used in this review were retrieved from electronic database such as Scopus, Semanticscholar, Sciendirect, Google scholar, Researchgate, Pubmed, and websites. P. javanica possesses several phytochemical constituents, such as quassinoids, alkaloids, and triterpenoids. The compounds of the plant have been isolated and studied for their pharmacological activities, encompassing antimalarial, antiproliferative, antiviral, antimicrobial, and membrane-stabilizing activities. It was found that the pharmacological activities in the plant were attributable to the key ingredients of quassinoids and alkaloids present. However, further extensive studies must be carried out to explore more potential benefits that the plant could offer.
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Sun, Yue, George Binh Lenon, and Angela Wei Hong Yang. "Phellodendri Cortex: A Phytochemical, Pharmacological, and Pharmacokinetic Review." Evidence-Based Complementary and Alternative Medicine 2019 (April 1, 2019): 1–45. http://dx.doi.org/10.1155/2019/7621929.
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Background. Phellodendri Cortex (PC) or Huang Bai. According to the scientific database of China Plant Species and Chinese pharmacopeia 2015 edition, PC has two main species which are Phellodendron amurense Rupr (PAR) or “Guan Huang bai” in Chinese and Phellodendron chinense Schneid (PCS) or “Chuan Huang bai” in Chinese. The crude drugs of PAR and PCS are also called Phellodendri amurensis cortex (PAC) and Phellodendri chinense cortex (PCC), respectively. The medicinal part of the plant is the dried trunk bark. PC has comprehensive therapeutic effects which include anti-inflammatory, antimicrobial, anticancer, hypotensive, antiarrhythmic, antioxidant, and antipyretic agents. The exact ingredients in PC and its species are not fully summarised. Aim of the Study. This study was designed to review and evaluate the pharmacological actions of compounds and to explore the pharmacokinetic knowledge of PC and its species and to also identify the chemical compound(s) with a potential therapeutic effect on atopic dermatitis. Methods. “Huang Bai” and its English, botanical, and pharmaceutical names were used as keywords to perform database search in Encyclopaedia of traditional Chinese Medicines, PubMed, EMBASE, MEDLINE, Science Direct, Scopus, Web of Science, and China Network Knowledge Infrastructure. The data selection criteria included all the studies that were related to the phytochemical, pharmacological, and pharmacokinetic perspectives of PC and its species or their active constituents. More importantly, the voucher number has been provided to ensure the genuine bark of PC used as the medicinal part in the studies. Results. 140 compounds were summarized from PC and its species: specifically, 18 compounds from PCC, 44 compounds from PCS, 34 compounds from PAC, and 84 compounds from PAR. Obacunone and obaculactone are probably responsible for antiatopic dermatitis effect. PC and its species possess a broad spectrum of pharmacological actions including anti-inflammatory effect, antibacterial effect, antiviral effect, antitumor effect, antigout effect, antiulcer effect, neuroprotective effect, and antiatopic dermatitis effect. PC could widely distribute in plasma, liver, spleen, kidney, and brain. Berberine may be responsible for the toxic effect on the susceptible users with hemolytic disease or in the peripartum and neonatal period. Conclusions. The compounds of the crude bark of PC and its subspecies have showcased a wide range of pharmacological effects. Pharmacological efficacies of PC are supported by its diverse class of alkaloid, limonoid, phenolic acid, quinic acid, lignan, and flavonoid. Obacunone and obaculactone could be the bioactive compounds for atopic dermatitis management. PC and its subspecies are generally safe to use but extra care is required for certain conditions and group of people.
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Ayadi, Jawaher, Mohamed Debouba, Rami Rahmani, and Jalloul Bouajila. "Brassica Genus Seeds: A Review on Phytochemical Screening and Pharmacological Properties." Molecules 27, no. 18 (September 15, 2022): 6008. http://dx.doi.org/10.3390/molecules27186008.
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Traditionally, Brassica species are widely used in traditional medicine, human food, and animal feed. Recently, special attention has been dedicated to Brassica seeds as source of health-promoting phytochemicals. This review provides a summary of recent research on the Brassica seed phytochemistry, bioactivity, dietary importance, and toxicity by screening the major online scientific database sources and papers published in recent decades by Elsevier, Springer, and John Wiley. The search was conducted covering the period from January 1964 to July 2022. Phytochemically, polyphenols, glucosinolates, and their degradation products were the predominant secondary metabolites in seeds. Different extracts and their purified constituents from seeds of Brassica species have been found to possess a wide range of biological properties including antioxidant, anticancer, antimicrobial, anti-inflammatory, antidiabetic, and neuroprotective activities. These valuable functional properties of Brassica seeds are related to their richness in active compounds responsible for the prevention and treatment of various chronic diseases such as obesity, diabetes, cancer, and COVID-19. Currently, the potential properties of Brassica seeds and their components are the main focus of research, but their toxicity and health risks must also be accounted for.
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Shukri, Nur Afifah Mohd, and Mizaton Hazizul Hasan. "Pharmacological Review of Vitex trifolia." International Journal of Pharmaceuticals, Nutraceuticals and Cosmetic Science 3 (June 29, 2021): 49–65. http://dx.doi.org/10.24191/ijpnacs.v3.05.
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Vitex triflolia is one of the Vitex species where known as Lemuni. It is widely used traditionally to reduce pain, fever and minor ailments. Every part of the plant had its advantages; for example, the leaves part can relieve pain, treat fever and can help to improve memory. It has potent pharmacological activities such as antioxidant, antinociceptive, anti-inflammatory and anticancer. Other than that, every part of the plant has unique constituents with different biological activities. A few isolated and identified flavonoids in V. trifolia include casticin, persinogenin, artemetin, luteolin, penduletin, vitexicarpin and chrysisplenol. These flavonoids can inhibit the cell cycle involved in carcinogenesis and have been reported to have anti-inflammatory properties. In putting together this review, PRISMA was adopted, which utilised two primary journal databases, Scopus and PubMed and a supporting database, Google Scholar. The search resulted in 17 journals for this review that covered the phytochemical constituents and pharmacological activities of V. trifolia. To conclude, this review provided insightful information on how the knowledge gap on V. trifolia can be exploited as possible treatments for COVID-19 as the extracts have shown potential anticancer, anti-inflammatory, antioxidant and other pharmacological properties due to the presence of the phytochemical constituents in the plant.
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Calabria, Lalita M., Vicente P. Emerenciano, Marcelo J. P. Ferreira, Marcus T. Scotti, and Tom J. Mabry. "A Phylogenetic Analysis of Tribes of the Asteraceae Based on Phytochemical Data." Natural Product Communications 2, no. 3 (March 2007): 1934578X0700200. http://dx.doi.org/10.1177/1934578x0700200310.
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This work describes the first phylogenetic analysis of the entire Asteraceae based only on chemical data. The data matrix used in this study was based on a large chemical database comprising ~400 skeletal types of terpenes, coumarins, flavonoids, benzofurans and polyacetylenes isolated from the family. Hypotheses about the relationships among tribes are discussed based on the chemical data and compared with relationships inferred from the morphological and macromolecular based classifications.
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Padhiary, Archana, Showkat A. Mir, Sheary S. Tete, Iswar Baitharu, and Binata Nayak. "Identification of anti-cyanobacterial leads targeting carbonic anhydrase from phytochemical database using in silico approach." BioTechnologia 104, no. 2 (2023): 121–36. http://dx.doi.org/10.5114/bta.2023.127203.
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Torres-Sanchez, Anamaris, Grace Torres, Sthephanie Estrada, Daraishka Perez, Carlos Garcia, Melissa Milian, Eddian Velazquez, Valerie Molina, and Yamixa Delgado. "Unraveling the Impact of Six Pentacyclic Triterpenes Regulating Metabolic Pathways on Lung Carcinoma Cells." Pharmaceuticals 17, no. 6 (May 28, 2024): 694. http://dx.doi.org/10.3390/ph17060694.
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Recently, there has been great interest in plant-derived compounds known as phytochemicals. The pentacyclic oleanane-, ursane-, and lupane-type triterpenes are phytochemicals that exert significant activity against diseases like cancer. Lung cancer is the leading cause of cancer-related death worldwide. Although chemotherapy is the treatment of choice for lung cancer, its effectiveness is hampered by the dose-limiting toxic effects and chemoresistance. Herein, we investigated six pentacyclic triterpenes, oleanolic acid, ursolic acid, asiatic acid, betulinic acid, betulin, and lupeol, on NSCLC A549 cells. These triterpenes have several structural variations that can influence the activation/inactivation of key cellular pathways. From our results, we determined that most of these triterpenes induced apoptosis, S-phase and G2/M-phase cycle arrest, the downregulation of ribonucleotide reductase (RR), reactive oxygen species, and caspase 3 activation. For chemoresistance markers, we found that most triterpenes downregulated the expression of MAPK/PI3K, STAT3, and PDL1. In contrast, UrA and AsA also induced DNA damage and autophagy. Then, we theoretically determined other possible molecular targets of these triterpenes using the online database ChEMBL. The results showed that even slight structural changes in these triterpenes can influence the cellular response. This study opens up promising perspectives for further research on the pharmaceutical role of phytochemical triterpenoids.
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Ni’matul Fauziah, Miftahul Maulidiyah, Tiara Putri Hartanto, Silvia Nur Diana Putri, Annisya San Sabhira, Isna Wulan Mukarromah, Rizki Amalia Putri, et al. "Artikel Review : Studi Fitokimia Dan Farmakologi Tanaman Kelor (Moringa Oleifera Lam)." Journal General Health and Pharmaceutical Sciences Research 1, no. 4 (December 13, 2023): 45–52. http://dx.doi.org/10.57213/tjghpsr.v1i4.110.
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The Moringa plant (Moringa oleifera L.) is a plant that has many properties in all parts of the plant. To find out the various properties, a phytochemical test is needed. Our phytochemical tests can determine the various chemical compounds formed and contained in plants, starting from chemical structure, biosynthesis, changes and metabolism, and bioactivity. This research aims to determine the classes of secondary metabolite compounds contained in the Moringa plant and their pharmacological activities based on the publication of scientific articles so that they can be a source of information in research and development of herbal medicines. The method used is literature study, the review process for this journal involves analysis of relevant articles, with a focus on empirical research conducted in the 2015-2023 time period. Article searches were carried out using the Google Scholar academic database. In the phytochemical test, it was found that Moringa contains alkaloids, saponins, flavonoids, terpenoids, steroids and tannins. These compounds are found in parts of the Moringa plant such as leaves, seeds, roots, protective skin, and stems. The Moringa plant also has pharmacological activities as antibacterial, anti-inflammatory, antioxidant, analgesic and anticancer.
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Azmal, Mahir, Jibon Kumar Paul, Fatema Sultana Prima, Omar Faruk Talukder, and Ajit Ghosh. "An in silico molecular docking and simulation study to identify potential anticancer phytochemicals targeting the RAS signaling pathway." PLOS ONE 19, no. 9 (September 19, 2024): e0310637. http://dx.doi.org/10.1371/journal.pone.0310637.
Full textAbstract:
The dysregulation of the rat sarcoma (RAS) signaling pathway, particularly the MAPK/ERK cascade, is a hallmark of many cancers, leading to uncontrolled cellular proliferation and resistance to apoptosis-inducing treatments. Dysregulation of the MAPK/ERK pathway is common in various cancers including pancreatic, lung, and colon cancers, making it a critical target for therapeutic intervention. Natural compounds, especially phytochemicals, offer a promising avenue for developing new anticancer therapies due to their potential to interfere with these signaling pathways. This study investigates the potential of anticancer phytochemicals to inhibit the MAPK/ERK pathway through molecular docking and simulation techniques. A total of 26 phytochemicals were screened from an initial set of 340 phytochemicals which were retrieved from Dr. Duke’s database using in silico methods for their binding affinity and stability. Molecular docking was performed to identify key interactions with ERK2, followed by molecular dynamics (MD) simulations to evaluate the stability of these interactions. The study identified several phytochemicals, including luteolin, hispidulin, and isorhamnetin with a binding score of -10.1±0 Kcal/mol, -9.86±0.15 Kcal/mol, -9.76±0.025 Kcal/mol, respectively as promising inhibitors of the ERK2 protein. These compounds demonstrated significant binding affinities and stable interactions with ERK2 in MD simulation studies up to 200ns, particularly at the active site. The radius of gyration analysis confirmed the stability of these phytochemical-protein complexes’ compactness, indicating their potential to inhibit ERK activity. The stability and binding affinity of these compounds suggest that they can effectively inhibit ERK2 activity, potentially leading to more effective and less toxic cancer treatments. The findings underscore the therapeutic promise of these phytochemicals, which could serve as a basis for developing new cancer therapies.
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BALAKRISHNAN, M., R. C. SRIVASTAVA, and M. RAMACHANDRAN. "Database of marine and freshwater algae resources of Andaman and Nicobar Islands." Indian Journal of Agricultural Sciences 82, no. 2 (February 7, 2012): 166–8. http://dx.doi.org/10.56093/ijas.v82i2.15295.
Full textAbstract:
This repository can contribute and document all information of endemic algae resources of Andaman and Nicobar Islands and help prosperity. Database for algae resources of Andaman and Nicobar Islands has been developed with an aim of providing technical information to the researchers. About 313 freshwater algal species belonging to 15 families and 57 marine algal species belonging to 18 families have been included in this database among which 40 species are new records. It is needless to state that algal resources play an essential role in phytochemical industry, Pharmaceuticals, Sidha medicine, drug discovery research and agricultural economy in future. Algae products have a vital place in the list of essential commodities in the day-to- day life of common person. When compared to Indian mainland, very limited variety of algae is found in these islands. This database provides a common place for the entire information and user-friendly database. This database would be updated on a regular basis, so that it could provide status about the algae resources, which could be useful to scientists, research scholars, pharma companies and common person.
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Siswina, Tessa, Mia Miranti Rustama, Dadan Sumiarsa, and Dikdik Kurnia. "Phytochemical profiling of Piper crocatum and its antifungal activity as Lanosterol 14 alpha demethylase CYP51 inhibitor: a review." F1000Research 11 (September 28, 2022): 1115. http://dx.doi.org/10.12688/f1000research.125645.1.
Full textAbstract:
Mycoses or fungal infections are a general health problem that often occurs in healthy and immunocompromised people in the community. The development of resistant strains in Fungi and the incidence of azole antibiotic resistance in the Asia Pacific which reached 83% become a critical problem nowadays. To control fungal infections, substances and extracts isolated from natural resources, especially in the form of plants as the main sources of drug molecules today, are needed. Especially from Piperaceae, which have long been used in India, China, and Korea to treat human ailments in traditional medicine. The purpose of this review was to describe antifungal activity from Piper crocatum and its phytochemical profiling against lanosterol 14 alpha demethylase CYP51. The methods used search databases from Google Scholar to find the appropriate databases using Preferred Reporting Items for Systematic Reviews and Meta-analyses (PRISMA) flow diagram as a clinical information retrieval method. From 1,150,000 results search by database, there were 73 selected articles to review. The review shows that P. crocatum contains flavonoids, tannins, terpenes, saponins, polyphenols, eugenol, alkaloids, quinones, chavibetol acetate, glycosides, triterpenoids or steroids, hydroxychavikol, phenolics, glucosides, isoprenoids, and non-protein amino acids. Its antifungal mechanisms in fungal cells occur due to ergosterol especially lanosterol 14 alpha demethylase CYP51 inhibition as a result of 5,6 desaturase (ERG3) downregulation. P. crocatum has an antifungal activity by its phytochemical profiling that act against fungi by inhibiting the fungal cytochrome P 450 pathway, make damaging cell membranes, fungal growth inhibition, morphological changes, and fungal cell lysis.
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Siswina, Tessa, Mia Miranti Rustama, Dadan Sumiarsa, and Dikdik Kurnia. "Phytochemical profiling of Piper crocatum and its antifungal mechanism action as Lanosterol 14 alpha demethylase CYP51 inhibitor: a review." F1000Research 11 (March 27, 2023): 1115. http://dx.doi.org/10.12688/f1000research.125645.2.
Full textAbstract:
Mycoses or fungal infections are general health problem that often occurs in healthy and immunocompromised people in the community. The development of resistant strains in Fungi and the incidence of azole antibiotic resistance in the Asia Pacific which reached 83% become a critical problem nowadays. To control fungal infections, substances and extracts isolated from natural resources, especially in the form of plants as the main sources of drug molecules today, are needed. Especially from Piperaceae, which have long been used in India, China, and Korea to treat human ailments in traditional medicine. The purpose of this review is to describe the antifungal mechanism action from Piper crocatum and its phytochemical profiling against lanosterol 14a demethylase CYP51. The methods used to search databases from Google Scholar to find the appropriate databases using Preferred Reporting Items for Systematic Reviews and Meta-analyses (PRISMA) Flow Diagram as a clinical information retrieval method. From 1.150.000 results searched by database, there is 73 final results article to review. The review shows that P. crocatum contains flavonoids, tannins, terpenes, saponins, polyphenols, eugenol, alkaloids, quinones, chavibetol acetate, glycosides, triterpenoids or steroids, hydroxychavikol, phenolics, glucosides, isoprenoids, and non-protein amino acids. Its antifungal mechanisms in fungal cells occur due to ergosterol especially lanosterol 14a demethylase (CYP51) inhibition, which is one of the main target sites for antifungal activity because it functions to maintain the integrity and function of cell membranes in Candida. P. crocatum has an antifungal activity through its phytochemical profiling against fungal by inhibiting the lanosterol 14a demethylase, make damaging cell membranes, fungal growth inhibition, and fungal cell lysis.
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Verma, Archana, Shweta Singh Chauhan, Vaishali Pankaj, Neha Srivastva, and Prachi Srivastava. "Network Biology Approaches to Identify the Drug Lead Molecule for Neurodevelopmental Disorders in Human." Open Bioinformatics Journal 13, no. 1 (March 20, 2020): 15–24. http://dx.doi.org/10.2174/1875036202013010015.
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Aims: To identify most novel drug target and lead molecule for neurodevelopmental disorder Autism, Intellectual Disability (ID) and Attention Deficit Hyperactivity Disorder (ADHD) diseases through system biology approaches Background: Neurodevelopmental disorders (NNDs) are disabilities associated chiefly with the functioning of the neurological system and brain. Children with neurodevelopmental disorders have difficulties with speech, behaviour, learning and other neurological functions. Systems biology is a holistic approach to enciphering the complexity of biological systems and their interactions. It opens the way to a more successful discovery of novel therapeutics. Objective: To identify most novel drug target and lead molecule for neurodevelopmental disorder Autism, Intellectual Disability (ID) and Attention Deficit Hyperactivity Disorder (ADHD) diseases through system biology approaches. Methods: A list of genes was collected from NCBI database for Autism, Intellectual Disability (ID) and Attention Deficit Hyperactivity Disorder (ADHD) diseases. STRING database and Cytoscape software was used for construction and interpreting molecular interaction in the network. 3D structure of target protein, was build and validated.The phytochemicals were identified through various research articles and filtered out by virtual screening through Molinspiration. Molecular docking analyses of known phytochemical with target proteins were performed usingAutoDock tool. Result: AKT1 for Autism, SNAP25 for Intellectual Disability (ID) and DRD4 for Attention Deficit Hyperactivity Disorder (ADHD) were identified as most potential drug target through network study. further the modelled structure of obtained target were undergo molecular docking study with kown phytochemicals. Based on lowest binding energy, Huperzine A for Autism and ID, Valerenic acid for ADHD found to be the most potential therapeutic molecules. Conclusion: Huperzine A against Autism and ID, Valerenic acid against ADHD found to be the most potential therapeutic molecules and expected to be effective in the treatment of NNDs. Phytochemicals do not have side effects so extract of these can be taken in preventive form too as these disorders occur during developmental stages of the child. Further the obtained molecule if experimentally validated would play promising role for the treatment of NDDs in human.
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Liu, Panhang, Annan Wu, Yi Song, and Jing Zhao. "Virtual Screening of Soybean Protein Isolate-Binding Phytochemicals and Interaction Characterization." Foods 12, no. 2 (January 6, 2023): 272. http://dx.doi.org/10.3390/foods12020272.
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Soybean protein isolate (SPI) and small molecule interactions have drawn more and more attention regarding their benefits for both parts, while research on large-scale investigations and comparisons of different compounds is absent. In this study, a high throughput virtual screening was applied on a phytochemical database with 1130 compounds to pinpoint the potential SPI binder. Pentagalloylglucose, narcissoside, poliumoside, isoginkgetin, and avicurin were selected as the top-five ranking molecules for further validation. Fluorescence quenching assays illustrated that isoginkgetin has a significantly higher apparent binding constant (Ka) of (0.060 ± 0.020) × 106 L·mol−1, followed by avicularin ((0.058 ± 0.010) × 106 L·mol−1), pentagalloylglucose ((0.049 ± 0.010) × 106 L·mol−1), narcissoside ((0.0013 ± 0.0004) × 106 L·mol−1), and poliumoside ((0.0012 ± 0.0006) × 106 L·mol−1). Interface characterization by MD simulation showed that protein residues E172, H173, G202, and V204 are highly involved in hydrogen bonding with the two carbonyl oxygens of isoginketin, which could be the crucial events in SPI binding. Van der Waals force was identified as the major driven force for isoginketin binding. Our study explored SPI–phytochemical interaction through multiple strategies, revealing the molecular binding details of isoginkgetin as a novel SPI binder, which has important implications for the utilization of the SPI–phytochemical complex in food applications.
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Kumaraswamy, Latha. "Phytochemical analysis in foamy extract of cucumber (Cucumis sativus L.)." SAARC Journal of Agriculture 20, no. 2 (December 29, 2022): 145–55. http://dx.doi.org/10.3329/sja.v20i2.63576.
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The metabolite profiling of white foamy substance local white cultivar of Cucumber (Cucumis sativus L.) was performed using HR-LCMS. Prominent compounds with MS spectra, peak list, and compound structure were studied. Which pertains to Cucurbitaceae. The cytotoxic activity was studied on onion root tip squash and microscopic evaluation was done. The principal component analysis (PCA) of the analytical data showed the presence of Triterpenes: Cucurbitacin-C (0.8ppm), Cucurbitacin-E (5.53ppm) and Cardiac glycosides: Gitoxigenin (7.76ppm), Strophanthidin (13.79ppm), and Digitoxigenin (2.13ppm) in 10μl of the loaded sample.100 other compounds were identified by accurate mass of Q-TOF/MS and verified by database compounds (IRM calibration). Strophanthidin in the highest concentration in the foamy extract is a significant finding. This study reports the traditional significance of removing white foamy substances for bitterness in cucumber before slicing. The cytotoxic study on onion root tips by photomicrograph study indicates reduction in root growth and chromosomal aberrations, disturbed telophase, anaphase, abnormal cell shape, dissolved chromosomes, membrane damage and nuclear lesions. SAARC J. Agric., 20(2): 145-155 (2022)
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Giri, Dil Prakash, and Meena Rajbhandari. "PHYTOCHEMICAL ANALYSIS AND CONSTITUENTS OF HEXANE EXTRACT OF MELASTOMA MALABATHRICUM L." Journal of Institute of Science and Technology 23, no. 1 (December 30, 2018): 18–25. http://dx.doi.org/10.3126/jist.v23i1.22150.
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Hexane, dichloromethane, ethyl acetate, methanol and 50 % aqueous methanol extracts of leaf, flower and fruit of Melastoma malabathricum were screened for the presence of different classes of phytochemicals. In phytochemical screening, ethyl acetate, methanol and 50 % aqueous methanol extracts showed the presence of phenolics and flavonoids. Glycosides were found only in the 50 % methanol extract of fruit. Free radical scavenging activity of methanol extract of leaf, flower and fruit was determined using 2,2-Diphenyl-1-picrylhydrazyl (DPPH) free radical. Total phenolic content was measured spectrophotometrically using Folin-Ciocalteu, total flavonoids content by using aluminum chloride and total sugar content by using anthrone reagent. Gallic acid was used as a standard for the calibration of phenolics, catechin for flavonoids and glucose for carbohydrates. The highest amount of phenolic was found in the 50 % methanol extract of leaf (242.88 ± 3.52 mg GAE/g extract), the highest amount of flavonoids was found in the ethyl acetate extract of leaf (127.41 ± 6.33 mg CE/g extract). Total sugar in 50 % methanol extract of fruit was found to be 151.12 ± 8.79 mg GE/g extract. Methanol extracts of flower showed the strongest antioxidant activity with IC50 value of 17.23 μg/ml. Silyl derivative of hexane extracts were prepared by using N-methyl-N-(trimetylsilyl) trifluoroacetamide for gas chromatography-mass spectroscopic (GC-MS) analysis. The GC-MS analysis of hexane extract allowed the identification of 17 phyto-constituents by comparing the fragmentation pattern of each component in mass spectrum with the standard NIST mass spectral database.
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Siswina, Tessa, Mia Miranti Rustama, Dadan Sumiarsa, and Dikdik Kurnia. "Phytochemical profiling of Piper crocatum and its antifungal mechanism action as Lanosterol 14 alpha demethylase CYP51 inhibitor: a review." F1000Research 11 (May 2, 2023): 1115. http://dx.doi.org/10.12688/f1000research.125645.3.
Full textAbstract:
Mycoses or fungal infections are a general health problem that often occurs in healthy and immunocompromised people in the community. The development of resistant strains in Fungi and the incidence of azole antibiotic resistance in the Asia Pacific which reached 83% become a critical problem nowadays. To control fungal infections, substances and extracts isolated from natural resources, especially in the form of plants as the main sources of drug molecules today, are needed. Especially from Piperaceae, which have long been used in India, China, and Korea to treat human ailments in traditional medicine. The purpose of this review is to describe the antifungal mechanism action from Piper crocatum and its phytochemical profiling against lanosterol 14a demethylase CYP51. The methods used to search databases from Google Scholar to find the appropriate databases using Preferred Reporting Items for Systematic Reviews and Meta-analyses (PRISMA) Flow Diagram as a clinical information retrieval method. From 1.150.000 results searched by database, there is 73 final results article to review. The review shows that P. crocatum contains flavonoids, tannins, terpenes, saponins, polyphenols, eugenol, alkaloids, quinones, chavibetol acetate, glycosides, triterpenoids or steroids, hydroxychavikol, phenolics, glucosides, isoprenoids, and non-protein amino acids. Its antifungal mechanisms in fungal cells occur due to ergosterol, especially lanosterol 14a demethylase (CYP51) inhibition, which is one of the main target sites for antifungal activity because it functions to maintain the integrity and function of cell membranes in Candida. P. crocatum has an antifungal activity through its phytochemical profiling against fungal by inhibiting the lanosterol 14a demethylase, make damaging cell membranes, fungal growth inhibition, and fungal cell lysis.
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Valdés-Jiménez, Alejandro, Carlos Peña-Varas, Paola Borrego-Muñoz, Lily Arrue, Melissa Alegría-Arcos, Hussam Nour-Eldin, Ingo Dreyer, Gabriel Nuñez-Vivanco, and David Ramírez. "PSC-db: A Structured and Searchable 3D-Database for Plant Secondary Compounds." Molecules 26, no. 4 (February 20, 2021): 1124. http://dx.doi.org/10.3390/molecules26041124.
Full textAbstract:
Plants synthesize a large number of natural products, many of which are bioactive and have practical values as well as commercial potential. To explore this vast structural diversity, we present PSC-db, a unique plant metabolite database aimed to categorize the diverse phytochemical space by providing 3D-structural information along with physicochemical and pharmaceutical properties of the most relevant natural products. PSC-db may be utilized, for example, in qualitative estimation of biological activities (Quantitative Structure-Activity Relationship, QSAR) or massive docking campaigns to identify new bioactive compounds, as well as potential binding sites in target proteins. PSC-db has been implemented using the open-source PostgreSQL database platform where all compounds with their complementary and calculated information (classification, redundant names, unique IDs, physicochemical properties, etc.) were hierarchically organized. The source organism for each compound, as well as its biological activities against protein targets, cell lines and different organism were also included. PSC-db is freely available for public use and is hosted at the Universidad de Talca.
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Okeyo, Gidraf Onduru, Miriam Karwitha Charimbu, Jane Nyaanga, and Thiago Mendes. "Determination of Bioactive Compounds Against Bacterial Wilt of Potato (Ralstonia pseudosolanacearum sp. nov.) in Psidium guajava and Pelargonium zonale Leaf Extracts." Journal of Agricultural Science 14, no. 11 (October 15, 2022): 64. http://dx.doi.org/10.5539/jas.v14n11p64.
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Common guava (Psidium guajava) and Pelargonium (Pelargonium zonale) have shown in-vitro antibacterial activity against Ralstonia pseudosolanacearum sp. nov. in previous studies. However, their phytochemical constituents and bioactive compounds against the pathogen have not been identified. The present study investigated the phytochemical components of P. guajava and P. zonale leaf extracts by phytochemical screening and gas chromatography-mass spectrometry (GC-MS). Phytochemical screening was done using different solvents while 100 mg of the dried ethanolic extract pastes from each plant sample was subjected to GC-MS analysis. Automated mass spectral deconvolution and identification system software (AMDIS, US) was used to analyze chromatograms and spectra representing individual compounds. Compound identification was performed by comparing each of the mass spectra with the database of NIST 11 (Gaithersburg, MD, USA), Wiley 7N (John Wiley, NY, USA) and by comparing the calculated Kovats linear retention indices using retention times of n-alkane series against the values in the NIST webbook. Flavonoids, phenols, alkaloids, saponins, terpenoids and tannins were detected in both plant samples. GC-MS analysis revealed presence of 35 and 26 compounds from P. zonale and P. guajava respectively. Both P. zonale and P. guajava had 7 similar compounds with antibacterial properties; Fumaric acid, Phytol, Pyrogallol, 4-Hydroxybenzoic acid, Shikimic acid, Protocatechuic acid and 3, 4, 5-Trihydroxybenzoic acid ethyl ester but P. zonale had one additional antibacterial compound; Lactic acid. In both cases, Shikimic acid had the highest percent peak areas of 3.2% for P. zonale and 6.8% P. guajava respectively. Therefore, P. zonale and P. guajava can serve as alternative sources of active ingredients for formulation of commercial botanicals for the management of bacterial wilt of potato.