Articoli di riviste: "Digallic acid"

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Verzele, M., P. Delahaye e J. van Dijck. "Digallic Acid". Bulletin des Sociétés Chimiques Belges 92, n. 2 (1 settembre 2010): 181–86. http://dx.doi.org/10.1002/bscb.19830920212.

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Куркин (Kurkin), Владимир (Vladimir) Александрович (Аleksandrovich), Татьяна (Tat'yana) Константиновна (Konstantinovna) Рязанова (Ryazanova), Александр (Аleksandr) Викторович (Viktorovich) Жестков (Zhestkov), Артем (Аrtem) Викторович (Viktorovich) Лямин (Lyamin), Елена (Elena) Владимировна (Vladimirovna) Авдеева (Avdeeva), Анна (Аnna) Владимировна (Vladimirovna) Куркина (Kurkina), Ольга (Ol'ga) Евгеньевна (Evgen'evna) Правдивцева (Pravdivtseva) e Альберт (Аl'bert) Иванович (Ivanovich) Агапов (Agapov). "THE ANTIBACTERIAL ACTIVITY OF COMPOUNDS FROM LEAVES OF ARCTOSTAPHYLOS UVA-URS". chemistry of plant raw material, n. 3 (7 febbraio 2018): 53–60. http://dx.doi.org/10.14258/jcprm.2018033542.

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The aim of this paper is the isolation of individual compounds, which are caused the antibacterial activity of the leaves of the bearberry [Arctostaphylos uva-ursi (L.) Spreng.]. The leaves of Arctostaphylos uva-ursi, collected in Perm region, there were extracted with 70% ethanol, the obtained water-alcoholic infusion there was evaporated in vacuum.By means of the chromatographic methods with the using of silica gel 40/100 and eluent systems (chloroform and ethanol in several ratio) from the evaporated water-alcoholic extract of the leaves of Arctostaphylos uva-ursi, a substance with antibacterial activity, ethyl ester of p-digallic acid, which is a new natural compound, was isolated along with arbutin ((1-О-b-D-glucopyranoside of hydroquinone) from the leaves of this plant. The chemical structures of the ethyl ester of p-digallic acid and arbutin were established with the using of data of 1H-NMR-spectroscopy, UV-spectroscopy and mass-spectrometry..The antibacterial activity of ethyl ester of p-digallic acid against test cultures of gram-positive bacteria Bacillus cereus and Staphylococcus aureus, gram-negative bacteria Escherichia coli and Pseudomonas aeruginosa for the first time was determined. By antibacterial activity, arbutin was inferior not only to ethyl ester of p-digallic acid, but also to decoction from the leaves of the bearberry. Consequently, the ethyl ester of p-digallic acid is one in main component, which is take the contribution in the antibacterial activity of the decoction and other preparations of the leaves of Arctostaphylos uva-ursi.

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Bhouri, Wissem, Ines Skandrani, Mohamed ben Sghair, Marie-Geneviève Djoux Franca, Kamel Ghedira e Leila Chekir Ghedira. "Digallic acid from Pistascia lentiscus fruits induces apoptosis and enhances antioxidant activities". Phytotherapy Research 26, n. 3 (21 luglio 2011): 387–91. http://dx.doi.org/10.1002/ptr.3540.

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Bhouri, Wissem, Jihed Boubaker, Ines Skandrani, Kamel Ghedira e Leila Chekir Ghedira. "Investigation of the apoptotic way induced by digallic acid in human lymphoblastoid TK6 cells". Cancer Cell International 12, n. 1 (2012): 26. http://dx.doi.org/10.1186/1475-2867-12-26.

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Victoroff, P. P. "Investigation of the Identity of Digallic Acid with Tannin as Mordants for Basic Dyes". Journal of the Society of Dyers and Colourists 43, n. 1 (22 ottobre 2008): 12–17. http://dx.doi.org/10.1111/j.1478-4408.1927.tb01402.x.

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Grassino, Susana B., e Miriam C. Strumia. "Novel UV-autocurable methacrylo-urethane polymeric films derived fromm-digallic acid: Preparation and characterization". Journal of Applied Polymer Science 70, n. 13 (26 dicembre 1998): 2575–83. http://dx.doi.org/10.1002/(sici)1097-4628(19981226)70:13<2575::aid-app3>3.0.co;2-3.

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Nakane, Hideo, Masanori Fukushima e Katsuhiko Ono. "Differential Inhibition of Reverse Transcriptase and Various DNA Polymerases by Digallic Acid and Its Derivatives". Journal of Natural Products 53, n. 5 (settembre 1990): 1234–40. http://dx.doi.org/10.1021/np50071a015.

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Zheng, Fengxin, Suiqing Mai, Xiaolin Cen, Pei Zhao, Wenjie Ye, Jiale Ke, Shiqin Lin et al. "Discovery of digallic acid as XOD/URAT1 dual target inhibitor for the treatment of hyperuricemia". Bioorganic Chemistry 147 (giugno 2024): 107381. http://dx.doi.org/10.1016/j.bioorg.2024.107381.

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Bhouri, Wissem, Safa Derbel, Ines Skandrani, Jihed Boubaker, Ines Bouhlel, Mohamed B. Sghaier, Soumaya Kilani et al. "Study of genotoxic, antigenotoxic and antioxidant activities of the digallic acid isolated from Pistacia lentiscus fruits". Toxicology in Vitro 24, n. 2 (marzo 2010): 509–15. http://dx.doi.org/10.1016/j.tiv.2009.06.024.

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Yu, Shasha, Zhouwei Duan, Peng Li, Shiping Wang, Lijun Guo, Guanghua Xia e Hui Xie. "Protective Effect of Polyphenols Purified from Mallotus oblongfolius on Ethanol-Induced Gastric Mucosal Injury by Regulating Nrf2 and MAPKs Pathways". Antioxidants 11, n. 12 (12 dicembre 2022): 2452. http://dx.doi.org/10.3390/antiox11122452.

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Mallotus oblongifolius (MO), which is rich in polyphenols, is a characteristic tea resource with medicinal value. In this study, a total of 45 polyphenolic components of MO, including narirutin, isoquercitrin, rutin and digallic acid, were identified by UPLC-Q-TOF/MS analysis. In addition, the gastroprotective effect of Mallotus oblongifolius polyphenols (MOP) on ethanol-induced gastric mucosal injury in rats was investigated. The rats received anhydrous ethanol after continuous gavage of MOP or lansoprazole for one week. In addition, the macro- and micro-damage induced by ethanol in the gastric tissue was significantly reduced after MOP pretreatment for one week. Further analysis showed that MOP prevented ethanol-induced acute gastric mucosal injury by increasing the expression of antioxidant enzymes (SOD, CAT, GSH-Px) and decreasing the expression of reactive oxygen species (ROS), lipid oxidation product (MDA) and myeloperoxidase (MPO). Meanwhile, MOP inhibited the phosphorylation of p38/ERK/JNK and promoted the activation of the Nrf2 pathway. These results suggested that MOP may be a promising therapeutic target for the prevention of ethanol-induced gastric mucosal injury by improving oxidative stress, inhibiting the p38/ERK/JNK signaling pathways and activating Nrf2 expression.

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Wu, Jian, Katheryn M. Goodrich, Joseph D. Eifert, Michael L. Jahncke, Sean F. O’Keefe, Gregory E. Welbaum e Andrew P. Neilson. "Inhibiting foodborne pathogens Vibrio parahaemolyticus and Listeria monocytogenes using extracts from traditional medicine: Chinese gallnut, pomegranate peel, Baikal skullcap root and forsythia fruit". Open Agriculture 3, n. 1 (1 giugno 2018): 163–70. http://dx.doi.org/10.1515/opag-2018-0017.

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Abstract Foodborne illnesses have been a heavy burden in the United States and globally. Many medicinal herbs have been cultivated in the US and many of which contain antimicrobial compounds with the potential to be used for food preservation. Methanol/water extracts of pomegranate peel (“PP”, Punica Granatum L.), Chinese gallnut (“CG”, Galla chinensis), Forsythia fruit (“FF”, Forsythia suspensa) and Baikal skullcap root (“BS”, Scutellaria baicalensis) were tested for antimicrobial activity using the agar diffusion assay on tryptic soy agar (TSA) and microdilution assay in tryptic soy broth (TSB). CG and PP extracts showed good to excellent inhibitory effect against Vibrio parahaemolyticus and Listeria monocytogenes in both assays, with a minimum inhibitory concentration (MIC) range from 0.04 to 5 mg/mL. BS had moderate inhibitory effects against V. parahaemolyticus with an MIC of 5 mg/mL in TSB, and against L. monocytogenes with an MIC of 20 mg/mL on TSA. CG was analyzed using LC-MS and fractionated using HPLC. The major components were identified as gallic acid, digallic acid, methyl gallate, and gallotannins (oligo-galloyl-D-glucose, nGG, n = 1~10). Six fractions (I - VI) were collected and their antibacterial activities were tested against L. monocytogenes, and V. parahaemolyticus both on TSA and in TSB. On TSA, fraction III, IV and V inhibited V. parahaemolyticus but no fraction inhibited L. monocytogenes. In TSB, all fractions inhibited V. parahaemolyticus and fractions II - V inhibited L. monocytogenes. Future studies are needed to investigate the effects of medicinal plants on food products.

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Zhou, Yue, Xiao-Yu Xu, Ren-You Gan, Jie Zheng, Ya Li, Jiao-Jiao Zhang, Dong-Ping Xu e Hua-Bin Li. "Optimization of Ultrasound-Assisted Extraction of Antioxidant Polyphenols from the Seed Coats of Red Sword Bean (Canavalia gladiate (Jacq.) DC.)". Antioxidants 8, n. 7 (28 giugno 2019): 200. http://dx.doi.org/10.3390/antiox8070200.

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The seed coat of red sword bean (Canavalia gladiata (Jacq.) DC.) is rich in antioxidant polyphenols. It is often discarded as a byproduct with the consumption of red sword bean, since it is very thick and not consumed by people. The aim of this study was to develop an ultrasound-assisted extraction method to extract natural antioxidants from the seed coats. The extraction process was optimized by using response surface methodology. After the single-factor experiments, three key factors, including ethanol concentration, liquid/solid ratio, and extraction time, were selected and their interactions were studied using a central composite design. The optimal extraction condition was 60.2% hydroethanol, a liquid/solid ratio of 29.3 mL/g, an extraction time of 18.4 min, an extraction temperature of 50 °C, and ultrasound power of 400 W. Under the optimal conditions, antioxidant activity of the extract was 755.98 ± 10.23 μmol Trolox/g dry weight (DW), much higher than that from maceration (558.77 ± 14.42 μmol Trolox/g DW) or Soxhlet extraction (479.81 ± 12.75 μmol Trolox/g DW). In addition, the main antioxidant compounds in the extract were identified and quantified by high-performance liquid chromatography–diode array detection–tandem mass spectrometry (HPLC–DAD–MS/MS). The concentrations of digalloyl hexoside, methyl gallate, gallic acid, trigalloyl hexoside, and digallic acid were 15.30 ± 0.98, 8.85 ± 0.51, 8.76 ± 0.36, 4.27 ± 0.21, and 2.89 ± 0.13 mg/g DW. This study provides an efficient and green extraction method for the extraction of natural antioxidants from the bean coat of red sword bean. The extract of antioxidants might be added into functional foods or nutraceuticals with potential beneficial functions.

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Khyl, A. M., e S. B. Peredera. "Analysis of antimicrobial properties of medicinal plants". Scientific Messenger of LNU of Veterinary Medicine and Biotechnologies 25, n. 110 (18 giugno 2023): 137–41. http://dx.doi.org/10.32718/nvlvet11023.

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The data on medicinal plants with antimicrobial properties are reviewed. The study has been carried out on their ability to exhibit antimicrobial and deodorizing effects on Staphylococcus aureus, Echerihia coli, and the feasibility of developing a disinfectant based on tormenta, kalgan, cranberry and vivicle. The antimicrobial effect of these ethanol 40 % tinctures on a plant basis has been established. Among the investigated extracts, the most pronounced effect of Arctostaphylos uva-ursi L. is caused by the death of Staphylococcus aureus with a growth delay of 26 ± 1.7 mm, and Echerihia coli with a growth delay of 29 ± 0.5. The tincture made from Potentilla erecta rhizomata has antimicrobial effect against Staphylococcus aureus with a diameter of growth retardation of 29 ± 2.1 mm and Echerihia coli 27 ± 0.7 mm. Symphytum officinale also has a pronounced antibacterial activity, inhibiting the growth of Staphylococcus aureus to 24 ± 1.7 mm, and Echerihia coli – 17 ± 0.3 mm. The ethanol extract made on the basis of Geranium had the least detrimental effect. The obtained results provide an opportunity for further study of the pharmacological properties of these medicinal plants and the development of a disinfectant based on them. Potentilla erecta rhizomata, a perennial herbaceous plant of the rose family, has attracted significant interest as valuable medicinal raw material due to its high levels of tannins, triterpenoids, tormentosides, and astringent compounds found in its rhizomes and other valuable organic compounds. Preparations based on tormentil provide bactericidal, bitter, anti-inflammatory, expectorant, and choleretic effects. Symphytum officinale, a perennial herbaceous plant belonging to the borage family, has numerous beneficial components in its root, such as alkaloids, allantoin, amino acids, tannins, gallic acid, and digallic acid, among others. The shoots and leaves contain protein, fiber, fat, non-nitrogenous, and extractive substances. Arctostaphylos uva-ursi L is a genus of evergreen, stiff-leaved shrubs in the heath family. The main active compounds are phenolic compounds. Infusions and decoctions of bearberry shoots and leaves exhibit antimicrobial, anti-inflammatory, and diuretic effects. Geranium is a plant species of the Geranium genus in the Geraniaceae family. The plant contains essential oil, flavonoids, carvacrol, borneol, and tannins. Preparations based on geranium have antibacterial, hypotensive, anticonvulsant, and sedative properties. Since the investigated plants contain a large number of diverse bioactive substances with antibacterial properties, the aim of this study is to evaluate the effects of ethanolic extracts on Staphylococcus aureus, a conditionally pathogenic microorganism causing staphylococcal infections, and Escherichia coli, one of the main types of bacteria residing in the lower parts of the mammalian intestine, collectively known as intestinal flora.

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Uhl, Werner, Michael Claesener e Alexander Hepp. "A Carbon-Bridged Digallium Compound as a Chelating Lewis Acid: Complexation of Thiophenolate and Benzoate Anions by H5C6−CH2−C(SiMe3)[Ga(CH2tBu)2]2". Organometallics 27, n. 9 (maggio 2008): 2118–22. http://dx.doi.org/10.1021/om800068s.

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Rini, Ika Agus, Indah Oktaviani, Muhammad Asril, Revi Agustin e Fina Khaerunissa Frima. "ISOLASI DAN KARAKTERISASI BAKTERI PENGHASIL IAA (INDOLE ACETIC ACID) DARI RHIZOSFER TANAMAN AKASIA (Acacia mangium)". Agro Bali: Agricultural Journal 3, n. 2 (24 dicembre 2020): 210–19. http://dx.doi.org/10.37637/ab.v3i2.619.

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IAA adalah produk paling umum dari metabolisme L-triptofan yang dapat diproduksi oleh beberapa mikroorganisme. Beberapa mikroorganisme yang memiliki potensi menghasilkan IAA adalah bakteri rhizosfer pada tanaman Leguminosae, salah satunya adalah akasia. Acacia mangium, juga dikenal sebagai akasia, adalah pohon yang tumbuh cepat. Namun, akasia adalah tanaman invasif. Tanaman akasia memiliki bintil yang merupakan hasil simbiosis akar tanaman dan bakteri. Simbiosis ini dapat mempengaruhi kesuburan tanah. Banyak potensi yang dapat digali dari bakteri tanah, khususnya di rhizosfer. Tujuan dari penelitian ini adalah untuk mengisolasi dan mengidentifikasi bakteri pada rizosfer tanaman akasia yang mampu menghasilkan IAA sebagai salah satu potensi untuk kandidat PGPR (Plant Growth Promoting Rhizobacteria). Metode yang digunakan meliputi pengambilan sampel, isolasi bakteri penghasil IAA, pemurnian bakteri, identifikasi bakteri dan uji biokimia, pembuatan kurva tumbuha bakteri, dan uji isolat bakteri pelarut fosfat. Hasil isolasi bakteri rhizosfer diperoleh sebanyak 10 isolat bakteri yang memiliki karakteristik berbeda secara morfologi. Berdasarkan hasil identifikasi bakteri berdasarkan pewarnaan Gram, bakteri tersebut masuk ke dalam genus Bacillus dan terdapat 5 isolat bakteri yang memiliki kemampuan menghasilkan IAA dan melarutkan fosfat sehingga bakteri tersebut memiliki potensi sebagai pupuk hayati.

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Rini, Ika Agus, Indah Oktaviani, Muhammad Asril, Revi Agustin e Fina Khaerunissa Frima. "ISOLASI DAN KARAKTERISASI BAKTERI PENGHASIL IAA (INDOLE ACETIC ACID) DARI RHIZOSFER TANAMAN AKASIA (Acacia mangium)". Agro Bali: Agricultural Journal 3, n. 2 (24 dicembre 2020): 210–19. http://dx.doi.org/10.37637/ab.v3i2.619.

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IAA adalah produk paling umum dari metabolisme L-triptofan yang dapat diproduksi oleh beberapa mikroorganisme. Beberapa mikroorganisme yang memiliki potensi menghasilkan IAA adalah bakteri rhizosfer pada tanaman Leguminosae, salah satunya adalah akasia. Acacia mangium, juga dikenal sebagai akasia, adalah pohon yang tumbuh cepat. Namun, akasia adalah tanaman invasif. Tanaman akasia memiliki bintil yang merupakan hasil simbiosis akar tanaman dan bakteri. Simbiosis ini dapat mempengaruhi kesuburan tanah. Banyak potensi yang dapat digali dari bakteri tanah, khususnya di rhizosfer. Tujuan dari penelitian ini adalah untuk mengisolasi dan mengidentifikasi bakteri pada rizosfer tanaman akasia yang mampu menghasilkan IAA sebagai salah satu potensi untuk kandidat PGPR (Plant Growth Promoting Rhizobacteria). Metode yang digunakan meliputi pengambilan sampel, isolasi bakteri penghasil IAA, pemurnian bakteri, identifikasi bakteri dan uji biokimia, pembuatan kurva tumbuha bakteri, dan uji isolat bakteri pelarut fosfat. Hasil isolasi bakteri rhizosfer diperoleh sebanyak 10 isolat bakteri yang memiliki karakteristik berbeda secara morfologi. Berdasarkan hasil identifikasi bakteri berdasarkan pewarnaan Gram, bakteri tersebut masuk ke dalam genus Bacillus dan terdapat 5 isolat bakteri yang memiliki kemampuan menghasilkan IAA dan melarutkan fosfat sehingga bakteri tersebut memiliki potensi sebagai pupuk hayati.

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Uhl, Werner, Christina Stefaniak, Alexander Hepp e Jutta Kösters. "Treatment of the Digallium Compound R2Ga-GaR2[R = CH(SiMe3)2] with Functionalized Dicarboxylic Acids: Macrocycles, Hydrogen Bonding, and Sulfur-Sulfur Closed-Shell Interactions". European Journal of Inorganic Chemistry 2014, n. 22 (26 giugno 2014): 3521–26. http://dx.doi.org/10.1002/ejic.201402172.

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Lestari, Della Ayu, Luthfi Anzani, Acep Saepul Zamil, Aji Prasetyo, Ester Frescila Simbolon e Muhamad Renaldi Apriansyah. "PENGARUH GUNUNG LAUT ANAK KRAKATAU TERHADAP PERTUMBUHAN RUMPUT LAUT DI SELAT SUNDA". Jurnal Kemaritiman: Indonesian Journal of Maritime 1, n. 2 (17 dicembre 2020): 80–95. http://dx.doi.org/10.17509/ijom.v1i2.25590.

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ABSTRACTIndonesia's total area 70% is Sea, in which live a variety of marine biota. One of these biota is seaweed. Seaweed is one of the biodiversity that is very abundant in Indonesia, which is about 8.6% of the total biota in the sea. The area that has become the habitat of seaweed in Indonesia reaches 1.2 million hectares or the largest in the world. The Potential of seaweed should continue to be excavated, therefore many researchers who are interested in nutrients contained in this seaweed. Sunda Strait is the strait that connects the island of Java and Sumatera in Indonesia, and connects the sea of Java to the Indian Ocean. At the narrowest point, the width of Sunda Strait is only about 30 km. If seen from the other side of Indonesia it self is in the Ring of Fire between the Asian plate and Indo-Asia also the Pacific makes the country is rich in volcanoes on land and sea. Sea mount in Indonesia which has a large eruption and explosively one of them is Mount Anak Krakatau. Of course it affects the surrounding environment that contains many nutrients therein. This Review discusses substances that are contained on Mount of fire for example Carbon monoxide substances, carbon dioxide, sulfur dioxide, hydrogen sulfide, and nitrogen, substances contained in seaweed such as cellulose Caco3 (calcium carbonate), Fulcellaran and Porpiran alginic acid, silicon, and substances contained in the Sunda Strait such as SiO2 (silica), calcium (Ca), magnesium (Mg), potassium (K) and phosphorus (P). The results of this study are expected for the community to know the substances that make the seaweed fertile in order to be utilized properly.Keywords: mount of fire, nutrient, seaweed, Sunda Strait water. ABSTRAKLuas wilayah indonesia 70% adalah laut, didalamnya hidup beraneka ragam jenis biota laut. Salah satu biota ini adalah rumput laut (Seaweed). Rumput laut merupakan salah satu sumber daya hayati yang sangat melimpah diperairan Indonesia yaitu sekitar 8,6% dari total biota di laut. Luas wilayah yang menjadi habitat rumput laut di Indonesia mencapai 1,2 juta hektar atau terbesar di dunia. Potensi rumput laut perlu terus digali, oleh karenanya banyak peneliti yang tertarik akan zat hara yang terkandung pada rumput laut ini. Selat Sunda merupakan selat yang menghubungkan pulau Jawa dan Sumatera di Indonesia, serta menghubungkan Laut Jawa dengan Samudera Hindia. Pada titik tersempit, lebar selat Sunda hanya sekitar 30 km. Jika dilihat dari sisi lain Indonesia sendiri berada dalam ring of fire antara lempeng Asia dan Indo-Asia juga Pasifik ini menciptakan negeri Indonesia kaya akan gunung berapi di darat maupun laut. Gunung laut yang ada di Indonesia yang memiliki letusan yang besar dan eksplosif salah satunya adalah Gunung Anak Krakatau. tentu itu berpengaruh pada lingkungan sekitarnya yang banyak mengandung zat hara didalamnya. Review ini membahas zat yang terkandug pada gunung berapi misalnya zat karbon monoksida, karbon dioksida, sulfur dioksida, hidrogen sulfida, dan nitrogen, zat yang terkandung pada rumput laut misalnya seperti Selulosa CaCO3 (kalsium karbonat), fulcellaran dan porpiran asam alginat, Silikon, dan zat yang terkandung diperairan selat sunda misalnya seperti SiO2 (silika), kalsium (Ca), magnesium (Mg), kalium (K) dan fosfor (P). Hasil dari kajian ini diharapkan untuk masyarakat agar mengetahui zat-zat yang membuat rumput laut subur agar bisa dimanfaatkan dengan baik.Kata kunci: gunung berapi, perairan Selat Sunda, rumput laut, zat hara.

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Benguechoua, Mebarka Imane, Khedidja Benarous, Ziyad Benahmed, Sarah Boukhalkhal, Artur M. S. Silva e Mohamed Yousfi. "Quinic and digallic acids from Pistacia atlantica Desf. leaves extracts as potent dual effect inhibitors against main protease and RNA-dependent RNA polymerase of SARS-CoV-2". Current Computer-Aided Drug Design 18 (16 giugno 2022). http://dx.doi.org/10.2174/1573409918666220616121449.

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Background: Through this study, the Chemical composition realized by UHPLC-DAD-ESI-MSn allowed the detection of different phenolic compounds groups from Pistacia atlantica Desf. leaves extracts. We studied the inhibition of main protease (CL3 Mpro) and RNA-dependent RNA polymerase (RdRp) of the SARS-CoV-2 by the identified molecules through molecular docking. Objective: The objective of this study is to identify compounds from Pistacia atlantica Desf. leaves extracts, which might have anti-viral effects. Methods: Chemical composition realized by UHPLC-DAD-ESI-MSn, the inhibition of main protease (CL3 Mpro) and RNA-dependent RNA polymerase (RdRp) of the SARS-CoV-2 is studied using molecular docking with Autodock Vina software. ADMET analysis was carried out. Results: The identified compounds are quinic acid, digallic acid, galloylquinic acid, gallic acid, trigallic acid, digalloylquinic acids, trigalloylquinic acids and methyl gallate; digallic and quinic acids are the best inhibitors. Digallic acid had binding affinity energy (BAE) of -8.2 kcal/mol, and Ki of 1µM for the CL3 Mpro, Ki of 0.62 mM for the RdRp. Quinic acid showed Ki of 4.6 mM, recorded for both enzymes. Through ADMET analysis, we have found that the two molecules are good drugs candidate. Conclusion: This is the first time that a group of identified compounds from Pistacia atlantica Desf. leaves is studied for their potential activity against the novel virus by inhibiting two key enzymes in its life cycle, and no further studies have been published in this context.

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Khatkar, Anurag, Renu Sehrawat, Priyanka Rathee, Pooja Rathee, Sarita Khatkar e Esra Kupelli Akkol. "In Silico and In vitro Analysis of Phenolic Acids for Identification of Potential DHFR Inhibitors as Antimicrobial and Anticancer Agents". Current Protein & Peptide Science 24 (25 agosto 2023). http://dx.doi.org/10.2174/1389203724666230825142558.

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Background: DHFR is an indispensable enzyme required for the survival of almost all prokaryotic and eukaryotic cells, making it an attractive molecular target for drug design. Objective: In this study, a combined in silico and in vitro approach was utilized to screen out potential anticancer and antimicrobial agents by using DHFR PDB IDs 2W9S (for antimicrobial) and 1U72 (for anticancer). Methods: Computational work was performed using Maestro Schrodinger Glide software. The DHFR inhibitory activity of the selected compounds was assessed using the DHFR test kit (CS0340-Sigma-Aldrich). Results: Exhaustive analysis of in-silico results revealed that some natural phenolic acids have a good docking score when compared to standards, i.e., trimethoprim and methotrexate, and have astonishing interactions with crucial amino acid residues available in the binding pocket of DHFR, such as Phe 92, Asp 27, Ser 49, Asn 18, and Tyr 98. In particular, digallic acid and chlorogenic acid have amazing interactions with docking scores of -9.9 kcal/mol and -9.6 kcal/mol, respectively, for the targeted protein 2W9S. Docking scores of -10.3 kcal/mol and -10.2 kcal/mol, respectively, for targeted protein 1U72. The best hits were then tested in vitro to evaluate the DHFR inhibitory activity of the compounds. DHFR inhibition activity results are in correlation with molecular docking results. Conclusion: In silico and in vitro results confirmed the good binding and inhibitory activity of some phenolic acids to the modeled target proteins. Among all the studied natural phenolic acids, chlorogenic acid, digallic acid, and rosmarinic acid appeared to be the most potential leads for future chemical alteration. This study can provide significant speculative guidance for the design and development of potent DHFR inhibitors in the future by using these compounds as leads.

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Alfonso, Eddy E., Rogelio Troche, Zifang Deng, Thirunavukkarasu Annamalai, Prem Chapagain, Yuk-Ching Tse-Dinh e Fenfei Leng. "Potent inhibition of bacterial DNA gyrase by digallic acid and other gallate derivatives". ChemMedChem, 26 settembre 2022. http://dx.doi.org/10.1002/cmdc.202200301.

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Erdogan, G., e R. Karadag. "Potentiometric and Spectrophotometric Studies of the Mixed-Ligand Complexes of Quercetin and Digallic Acid with Iron(II) and Magnesium(II)". Reviews in Analytical Chemistry 25, n. 4 (gennaio 2006). http://dx.doi.org/10.1515/revac.2006.25.4.257.

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Zhang, Lu, Chun-yan Peng, Pei-xin Wang, Linju Xu, Jia-hui Liu, Xing Xie, Ling Lu e Zong-cai Tu. "Hypoglycemic and H2O2-induced oxidative injury protective effects and the phytochemical profiles of the ethyl acetate fraction from Radix Paeoniae Alba". Frontiers in Nutrition 10 (24 febbraio 2023). http://dx.doi.org/10.3389/fnut.2023.1126359.

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Abstract (sommario):

Radix Paeonia Alba (RPA) is often used as food and medicine. This study aimed to enrich and identify the antioxidant and hypoglycemic bioactive compounds from RPA. The results indicated that the ethyl acetate fraction (EAF) showed the highest total phenolic content, DPPH, ABTS+ scavenging ability, and α-glucosidase inhibition ability (IC50 = 7.27 μg/ml). The EAF could alleviate H2O2-induced oxidative stress in HepG2 cells by decreasing the MDA and ROS levels, improving cell apoptosis, increasing the enzyme activity of GPX-Px, CAT, SOD, Na+/K+-ATP, and Ca2+/Mg2+-ATP, and stimulating T-AOC expression, which also enhanced the glucose uptake of insulin-resistant HepG2 cells. In addition, the EAF significantly reduced the fasting blood glucose level and improved glucose tolerance in diabetic mice. An HPLC-QTOF-MS/MS analysis displayed that procyanidin, digallic acid isomer, methyl gallate, tetragalloylglucose isomer, dimethyl gallic acid, and paeoniflorin were the major compounds in the EAF. These findings are meaningful for the application of the EAF in the medicinal or food industry to prevent and treat oxidative stress and diabetes mellitus.

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