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Journal articles on the topic 'Polypharmacological'

To see the other types of publications on this topic, follow the link: Polypharmacological.

Author: Grafiati

Published: 10 December 2022

Last updated: 28 January 2023

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1

Garcia-Romero, Ezra Michelet, Edgar López-López, Catalina Soriano-Correa, José L. Medina-Franco, and Carolina Barrientos-Salcedo. "Polypharmacological drug design opportunities against Parkinson's disease." F1000Research 11 (October 17, 2022): 1176. http://dx.doi.org/10.12688/f1000research.124160.1.

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Background: Parkinson's disease is an attractive disease model to extend research towards a better understanding of the interrelationship between genes and the environment (exposome) therefore is an ideal model for a polypharmacological approach due to its clinical heterogeneity. Methods: In this paper, we present a series of polypharmacological chemical scaffolds extracted from ChEMBL 30 Database, with two or more targets of PD-related proteins obtained through chemoinformatics methods. This way, we describe the first adaptation of the Dual Activity Difference (DAD) map that allows the direct identification of "dual activity cliffs". Results: We identified 25 antiparkinson small molecules whose pharmacological targets are directed to dopaminergic and muscarinic acetyl choline M1-M5 receptors; 2 small molecules with three pharmacological targets with norepinephrine transporter, dopaminergic D1-D2 and muscarinic acetyl choline M1-M5 receptors; 6 with both targets norepinephrine transporter and muscarinic acetyl choline M1-M5 receptors; 2 small molecules with norepinephrine transporter and muscarinic acetyl choline M1-M5 receptors and 1 with both adenosine A2a and Dopamine D1-D5 receptors. Conclusion: Chemoinformatics methods identified 36 polypharmacological chemical scaffolds related to Parkinson's disease. Demonstrating that the design of polypharmacological drugs is an opportunity in PD.

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2

Peragovics, Agnes, Zoltan Simon, Andras Malnasi-Csizmadia, and Andreas Bender. "Modeling Polypharmacological Profiles by Affinity Fingerprinting." Current Pharmaceutical Design 22, no. 46 (January 24, 2017): 6885–94. http://dx.doi.org/10.2174/1381612822666160831104718.

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3

Schneider, Petra, and Gisbert Schneider. "Polypharmacological Drug−target Inference for Chemogenomics." Molecular Informatics 37, no. 9-10 (May 24, 2018): 1800050. http://dx.doi.org/10.1002/minf.201800050.

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4

Seki, Hajime, Song Xue, Mark S. Hixon, Sabine Pellett, Marek Remes̆, Eric A. Johnson, and Kim D. Janda. "Toward the discovery of dual inhibitors for botulinum neurotoxin A: concomitant targeting of endocytosis and light chain protease activity." Chemical Communications 51, no. 28 (2015): 6226–29. http://dx.doi.org/10.1039/c5cc00677e.

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5

Schneider, P., M. Röthlisberger, D. Reker, and G. Schneider. "Spotting and designing promiscuous ligands for drug discovery." Chemical Communications 52, no. 6 (2016): 1135–38. http://dx.doi.org/10.1039/c5cc07506h.

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6

Besnard, Jérémy, Gian Filippo Ruda, Vincent Setola, Keren Abecassis, Ramona M. Rodriguiz, Xi-Ping Huang, Suzanne Norval, et al. "Automated design of ligands to polypharmacological profiles." Nature 492, no. 7428 (December 2012): 215–20. http://dx.doi.org/10.1038/nature11691.

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7

Vitali, Francesca, Francesca Mulas, Pietro Marini, and Riccardo Bellazzi. "Network-based target ranking for polypharmacological therapies." Journal of Biomedical Informatics 46, no. 5 (October 2013): 876–81. http://dx.doi.org/10.1016/j.jbi.2013.06.015.

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8

Gao, Lanchang, Chao Hao, Ru Ma, Jiali Chen, Guisen Zhang, and Yin Chen. "Synthesis and biological evaluation of a new class of multi-target heterocycle piperazine derivatives as potential antipsychotics." RSC Advances 11, no. 28 (2021): 16931–41. http://dx.doi.org/10.1039/d1ra02426d.

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9

Li, Hongchun, Fen Pei, D. Lansing Taylor, and Ivet Bahar. "QuartataWeb: Integrated Chemical–Protein-Pathway Mapping for Polypharmacology and Chemogenomics." Bioinformatics 36, no. 12 (March 28, 2020): 3935–37. http://dx.doi.org/10.1093/bioinformatics/btaa210.

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Abstract Summary QuartataWeb is a user-friendly server developed for polypharmacological and chemogenomics analyses. Users can easily obtain information on experimentally verified (known) and computationally predicted (new) interactions between 5494 drugs and 2807 human proteins in DrugBank, and between 315 514 chemicals and 9457 human proteins in the STITCH database. In addition, QuartataWeb links targets to KEGG pathways and GO annotations, completing the bridge from drugs/chemicals to function via protein targets and cellular pathways. It allows users to query a series of chemicals, drug combinations or multiple targets, to enable multi-drug, multi-target, multi-pathway analyses, toward facilitating the design of polypharmacological treatments for complex diseases. Availability and implementation QuartataWeb is freely accessible at http://quartata.csb.pitt.edu. Supplementary information Supplementary data are available at Bioinformatics online.

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10

Kinnings, Sarah L., Li Xie, Kingston H. Fung, Richard M. Jackson, Lei Xie, and Philip E. Bourne. "The Mycobacterium tuberculosis Drugome and Its Polypharmacological Implications." PLoS Computational Biology 6, no. 11 (November 4, 2010): e1000976. http://dx.doi.org/10.1371/journal.pcbi.1000976.

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11

Wetzel, Carlie, Mitchell Lonneman, and Chun Wu. "Polypharmacological drug actions of recently FDA approved antibiotics." European Journal of Medicinal Chemistry 209 (January 2021): 112931. http://dx.doi.org/10.1016/j.ejmech.2020.112931.

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12

Chand, Karam, Rajeshwari Rajeshwari, Emanuel Candeias, Sandra M. Cardoso, Sílvia Chaves, and M. Amélia Santos. "Tacrine–deferiprone hybrids as multi-target-directed metal chelators against Alzheimer's disease: a two-in-one drug." Metallomics 10, no. 10 (2018): 1460–75. http://dx.doi.org/10.1039/c8mt00143j.

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Two in one drug: repurposing 2 existing drugs into polypharmacological compounds for targeting and regulating multiple pathological factors, including acetylcholine esterase (AChE), metal ions (Mⁿ⁺) as well as metal associated amyloid-β (Aβ) aggregates and redox active species (ROS), found in Alzheimer's disease (AD).

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13

Liu, Wandong, Caiyun Hou, Jiaming Li, Xiaodong Ma, Yanchun Zhang, Mengqi Hu, and Yuanzheng Huang. "Discovery of talmapimod analogues as polypharmacological anti-inflammatory agents." Journal of Enzyme Inhibition and Medicinal Chemistry 35, no. 1 (November 22, 2019): 187–98. http://dx.doi.org/10.1080/14756366.2019.1693703.

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14

Reddy, A. Srinivas, Zhi Tan, and Shuxing Zhang. "Curation and Analysis of Multitargeting Agents for Polypharmacological Modeling." Journal of Chemical Information and Modeling 54, no. 9 (August 29, 2014): 2536–43. http://dx.doi.org/10.1021/ci500092j.

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15

Patel, Hitesh, Xavier Lucas, Igor Bendik, Stefan Günther, and Irmgard Merfort. "Target Fishing by Cross-Docking to Explain Polypharmacological Effects." ChemMedChem 10, no. 7 (June 1, 2015): 1209–17. http://dx.doi.org/10.1002/cmdc.201500123.

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16

Sunduru, Naresh, Olli Salin, Åsa Gylfe, and Mikael Elofsson. "Design, synthesis and evaluation of novel polypharmacological antichlamydial agents." European Journal of Medicinal Chemistry 101 (August 2015): 595–603. http://dx.doi.org/10.1016/j.ejmech.2015.07.019.

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17

Papa, Alessandro, Silvia Pasquini, Chiara Contri, Sandra Gemma, Giuseppe Campiani, Stefania Butini, Katia Varani, and Fabrizio Vincenzi. "Polypharmacological Approaches for CNS Diseases: Focus on Endocannabinoid Degradation Inhibition." Cells 11, no. 3 (January 29, 2022): 471. http://dx.doi.org/10.3390/cells11030471.

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Polypharmacology breaks up the classical paradigm of “one-drug, one target, one disease” electing multitarget compounds as potential therapeutic tools suitable for the treatment of complex diseases, such as metabolic syndrome, psychiatric or degenerative central nervous system (CNS) disorders, and cancer. These diseases often require a combination therapy which may result in positive but also negative synergistic effects. The endocannabinoid system (ECS) is emerging as a particularly attractive therapeutic target in CNS disorders and neurodegenerative diseases including Parkinson’s disease (PD), Alzheimer’s disease (AD), Huntington’s disease (HD), multiple sclerosis (MS), amyotrophic lateral sclerosis (ALS), stroke, traumatic brain injury (TBI), pain, and epilepsy. ECS is an organized neuromodulatory network, composed by endogenous cannabinoids, cannabinoid receptors type 1 and type 2 (CB1 and CB2), and the main catabolic enzymes involved in the endocannabinoid inactivation such as fatty acid amide hydrolase (FAAH) and monoacylglycerol lipase (MAGL). The multiple connections of the ECS with other signaling pathways in the CNS allows the consideration of the ECS as an optimal source of inspiration in the development of innovative polypharmacological compounds. In this review, we focused our attention on the reported polypharmacological examples in which FAAH and MAGL inhibitors are involved.

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18

Li, Bin, Min Xiong, and Hong-Yu Zhang. "Elucidating Polypharmacological Mechanisms of Polyphenols by Gene Module Profile Analysis." International Journal of Molecular Sciences 15, no. 7 (June 25, 2014): 11245–54. http://dx.doi.org/10.3390/ijms150711245.

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19

R. Sahrawat, Tammanna, and Prabhjeet Kaur Kaur. "Polypharmacological study of Ceritinib using a structure based in silico approach." Bionatura 4, no. 2 (May 15, 2019): 836–40. http://dx.doi.org/10.21931/rb/2019.04.02.3.

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Drug repurposing has gained mass recognition over the past few years as it has paved new therapeutic applications for already approved FDA drugs. It focuses on finding new molecular targets of drugs for medical uses different than the one originally proposed. Ceritinib, an Anaplastic Lymphoma Kinase (ALK) inhibitor is given orally in the treatment of non-small cell lung cancer (NSCLC). This treatment has been reported to be associated with a number of side effects such as hyperglycemia, convulsion, pneumonitis etc. The side effects are usually due to the unintended interaction of the drug with other protein targets. In silico polypharmacological studies of Ceritinib suggests that it binds to multiple targets other than the intended one which may largely be due to different proteins possessing similar binding sites. ProBis server was used to retrieve probable off-targets of Ceritinib based on presence of structurally similar protein binding sites as that of ALK. Ceritinib was found to bind effectively to three proteins namely Lymphocyte Cell-Specific Protein-Tyrosine Kinase, Tropomyosin receptor kinase B and Aurora kinase B having favorable binding energies and inhibition constants, with no reported side-effects as compared to their marketed drugs. Therefore, it is concluded from the present study that Ceritinib may act as an effective therapeutic target against its polypharmacological targets.

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20

Tu, Gao, Tingting Fu, Fengyuan Yang, Jingyi Yang, Zhao Zhang, Xiaojun Yao, Weiwei Xue, and Feng Zhu. "Understanding the Polypharmacological Profiles of Triple Reuptake Inhibitors by Molecular Simulation." ACS Chemical Neuroscience 12, no. 11 (May 12, 2021): 2013–26. http://dx.doi.org/10.1021/acschemneuro.1c00127.

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21

Nacher, Jose C., and Jean-Marc Schwartz. "Modularity in Protein Complex and Drug Interactions Reveals New Polypharmacological Properties." PLoS ONE 7, no. 1 (January 18, 2012): e30028. http://dx.doi.org/10.1371/journal.pone.0030028.

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22

Vijayan, Ranjit, Bincy Baby, Priya Antony, Walaa Al Halabi, and Zahrah Al Homedi. "Structural insights into the polypharmacological activity of quercetin on serine/threonine kinases." Drug Design, Development and Therapy Volume 10 (September 2016): 3109–23. http://dx.doi.org/10.2147/dddt.s118423.

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23

Park, Hwangseo, Hoi-Yun Jung, Shinmee Mah, Kewon Kim, and Sungwoo Hong. "Kinase and GPCR polypharmacological approach for the identification of efficient anticancer medicines." Organic & Biomolecular Chemistry 18, no. 41 (2020): 8402–13. http://dx.doi.org/10.1039/d0ob01917h.

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24

Dutta, Devawati, Ranjita Das, Chhabinath Mandal, and Chitra Mandal. "Structure-Based Kinase Profiling To Understand the Polypharmacological Behavior of Therapeutic Molecules." Journal of Chemical Information and Modeling 58, no. 1 (December 15, 2017): 68–89. http://dx.doi.org/10.1021/acs.jcim.7b00227.

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25

Kung, Mei-Lang, Pei-Ying Lin, Shih-Tsung Huang, Ming-Hong Tai, Shu-Ling Hsieh, Chih-Chung Wu, Bi-Wen Yeh, Wen-Jeng Wu, and Shuchen Hsieh. "Zingerone Nanotetramer Strengthened the Polypharmacological Efficacy of Zingerone on Human Hepatoma Cell Lines." ACS Applied Materials & Interfaces 11, no. 1 (December 19, 2018): 137–50. http://dx.doi.org/10.1021/acsami.8b14559.

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26

Moesker, A. "187 TREATMENT OF NEUROPATHIC PAIN IN CRPS TYPE-I ON A POLYPHARMACOLOGICAL BASIS." European Journal of Pain 11, S1 (June 2007): S81—S82. http://dx.doi.org/10.1016/j.ejpain.2007.03.202.

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27

Kaplan, Andrew, Sebastian A. Andrei, Anna van Regteren Altena, Tristan Simas, Sara L. Banerjee, Nobuo Kato, Nicolas Bisson, Yusuke Higuchi, Christian Ottmann, and Alyson E. Fournier. "Polypharmacological Perturbation of the 14-3-3 Adaptor Protein Interactome Stimulates Neurite Outgrowth." Cell Chemical Biology 27, no. 6 (June 2020): 657–67. http://dx.doi.org/10.1016/j.chembiol.2020.02.010.

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28

Sharma, Charu, Juma M. Al Kaabi, Syed M. Nurulain, Sameer N. Goyal, Mohammad Amjad Kamal, and Shreesh Ojha. "Polypharmacological Properties and Therapeutic Potential of β-Caryophyllene: A Dietary Phytocannabinoid of Pharmaceutical Promise." Current Pharmaceutical Design 22, no. 21 (May 30, 2016): 3237–64. http://dx.doi.org/10.2174/1381612822666160311115226.

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29

Chiu, Yi-Yuan, Chun-Yu Lin, Chih-Ta Lin, Kai-Cheng Hsu, Li-Zen Chang, and Jinn-Moon Yang. "Space-related pharma-motifs for fast search of protein binding motifs and polypharmacological targets." BMC Genomics 13, Suppl 7 (2012): S21. http://dx.doi.org/10.1186/1471-2164-13-s7-s21.

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30

Salacz, Michael, Marc-Eric Halatsch, Georg Karpel-Massler, and Richard Kast. "RARE-09. MINIMALLY TOXIC MULTIMODAL AND POLYPHARMACOLOGICAL THERAPY IN TREATMENT OF DIFFUSE MIDLINE GLIOMA." Neuro-Oncology 19, suppl_6 (November 2017): vi213. http://dx.doi.org/10.1093/neuonc/nox168.862.

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31

Gower, Carrie M., Jason R. Thomas, Edmund Harrington, Jason Murphy, Matthew E. K. Chang, Ivan Cornella-Taracido, Rishi K. Jain, Markus Schirle, and Dustin J. Maly. "Conversion of a Single Polypharmacological Agent into Selective Bivalent Inhibitors of Intracellular Kinase Activity." ACS Chemical Biology 11, no. 1 (November 6, 2015): 121–31. http://dx.doi.org/10.1021/acschembio.5b00847.

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32

Wang, Xia, Chenxu Pan, Jiayu Gong, Xiaofeng Liu, and Honglin Li. "Enhancing the Enrichment of Pharmacophore-Based Target Prediction for the Polypharmacological Profiles of Drugs." Journal of Chemical Information and Modeling 56, no. 6 (May 31, 2016): 1175–83. http://dx.doi.org/10.1021/acs.jcim.5b00690.

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33

Brunhofer, Gerda, Christian Studenik, Gerhard F. Ecker, and Thomas Erker. "Synthesis, spasmolytic activity and structure–activity relationship study of a series of polypharmacological thiobenzanilides." European Journal of Pharmaceutical Sciences 42, no. 1-2 (January 2011): 37–44. http://dx.doi.org/10.1016/j.ejps.2010.10.005.

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34

Chicca, Andrea, Chiara Arena, Simone Bertini, Francesca Gado, Elena Ciaglia, Mario Abate, Maria Digiacomo, et al. "Polypharmacological profile of 1,2-dihydro-2-oxo-pyridine-3-carboxamides in the endocannabinoid system." European Journal of Medicinal Chemistry 154 (June 2018): 155–71. http://dx.doi.org/10.1016/j.ejmech.2018.05.019.

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35

Maccallini, Cristina, Alessandra Ammazzalorso, Barbara De Filippis, Marialuigia Fantacuzzi, Letizia Giampietro, and Rosa Amoroso. "HDAC Inhibitors for the Therapy of Triple Negative Breast Cancer." Pharmaceuticals 15, no. 6 (May 26, 2022): 667. http://dx.doi.org/10.3390/ph15060667.

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Triple negative breast cancer (TNBC) is an urgent as well as huge medical challenge, which is associated with poor prognosis and responsiveness to chemotherapies. Since epigenetic changes are highly implicated in TNBC tumorigenesis and development, inhibitors of histone deacetylases (HDACIs) could represent a promising therapeutic strategy. Although clinical trials involving single HDACIs showed disappointing results against TNBC, recent studies emphasize the high potential impact of HDACIs in controlling TNBC. In addition, encouraging results stem from new compounds designed to obtain isoform selectivity and/or polypharmacological HDAC approach. The present review provides a discussion of the HDACIs pharmacophoric models and of the structural modifications, leading to compounds with a potent activity against TNBC progression.

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36

Janardhan, S., L. John, M. Prasanthi, V. Poroikov, and G. Narahari Sastry. "A QSAR and molecular modelling study towards new lead finding: polypharmacological approach to Mycobacterium tuberculosis." SAR and QSAR in Environmental Research 28, no. 10 (October 3, 2017): 815–32. http://dx.doi.org/10.1080/1062936x.2017.1398782.

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37

Durrant, Jacob D., Rommie E. Amaro, Lei Xie, Michael D. Urbaniak, Michael A. J. Ferguson, Antti Haapalainen, Zhijun Chen, et al. "A Multidimensional Strategy to Detect Polypharmacological Targets in the Absence of Structural and Sequence Homology." PLoS Computational Biology 6, no. 1 (January 22, 2010): e1000648. http://dx.doi.org/10.1371/journal.pcbi.1000648.

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38

Wei, Tzu-Tang, Yi-Ting Lin, Ruo-Yu Tseng, Chia-Tung Shun, Yu-Chin Lin, Ming-Shiang Wu, Jim-Min Fang, and Ching-Chow Chen. "Prevention of Colitis and Colitis-Associated Colorectal Cancer by a Novel Polypharmacological Histone Deacetylase Inhibitor." Clinical Cancer Research 22, no. 16 (August 14, 2016): 4158–69. http://dx.doi.org/10.1158/1078-0432.ccr-15-2379.

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39

Tao, Qiangqiang, Fang Fang, Jiaming Li, Yong Wang, Can Zhao, Jingtai Liang, Xiaodong Ma, and Hao Wang. "A conjugated mTOR/MEK bifunctional inhibitor as potential polypharmacological anticancer agent: the prototype compound discovery." Medicinal Chemistry Research 29, no. 3 (January 13, 2020): 519–27. http://dx.doi.org/10.1007/s00044-020-02502-x.

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40

ZHENG, CHUN-SONG, YIN-SHENG WU, HONG-JUAN BAO, XIAO-JIE XU, XING-QIANG CHEN, HONG-ZHI YE, GUANG-WEN WU, et al. "Understanding the polypharmacological anticancer effects of Xiao Chai Hu Tang via a computational pharmacological model." Experimental and Therapeutic Medicine 7, no. 6 (April 2, 2014): 1777–83. http://dx.doi.org/10.3892/etm.2014.1660.

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41

Reyes-Parada, Miguel, and Patricio Iturriaga-Vasquez. "The development of novel polypharmacological agents targeting the multiple binding sites of nicotinic acetylcholine receptors." Expert Opinion on Drug Discovery 11, no. 10 (August 30, 2016): 969–81. http://dx.doi.org/10.1080/17460441.2016.1227317.

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42

Kiilerich, K., N. Speth, J. Lorenz, A. Casado-Sainz, V. Shalgunov, D. Lange, M. Xiong, et al. "P.228 The polypharmacological profile of psilocybin and potential behavioural effects of very low doses." European Neuropsychopharmacology 29 (December 2019): S175—S176. http://dx.doi.org/10.1016/j.euroneuro.2019.09.271.

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43

Hemmati, Shiva, and Haniyeh Rasekhi Kazerooni. "Polypharmacological Cell-Penetrating Peptides from Venomous Marine Animals Based on Immunomodulating, Antimicrobial, and Anticancer Properties." Marine Drugs 20, no. 12 (December 4, 2022): 763. http://dx.doi.org/10.3390/md20120763.

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Complex pathological diseases, such as cancer, infection, and Alzheimer’s, need to be targeted by multipronged curative. Various omics technologies, with a high rate of data generation, demand artificial intelligence to translate these data into druggable targets. In this study, 82 marine venomous animal species were retrieved, and 3505 cryptic cell-penetrating peptides (CPPs) were identified in their toxins. A total of 279 safe peptides were further analyzed for antimicrobial, anticancer, and immunomodulatory characteristics. Protease-resistant CPPs with endosomal-escape ability in Hydrophis hardwickii, nuclear-localizing peptides in Scorpaena plumieri, and mitochondrial-targeting peptides from Synanceia horrida were suitable for compartmental drug delivery. A broad-spectrum S. horrida-derived antimicrobial peptide with a high binding-affinity to bacterial membranes was an antigen-presenting cell (APC) stimulator that primes cytokine release and naïve T-cell maturation simultaneously. While antibiofilm and wound-healing peptides were detected in Synanceia verrucosa, APC epitopes as universal adjuvants for antiviral vaccination were in Pterois volitans and Conus monile. Conus pennaceus-derived anticancer peptides showed antiangiogenic and IL-2-inducing properties with moderate BBB-permeation and were defined to be a tumor-homing peptide (THP) with the ability to inhibit programmed death ligand-1 (PDL-1). Isoforms of RGD-containing peptides with innate antiangiogenic characteristics were in Conus tessulatus for tumor targeting. Inhibitors of neuropilin-1 in C. pennaceus are proposed for imaging probes or therapeutic delivery. A Conus betulinus cryptic peptide, with BBB-permeation, mitochondrial-targeting, and antioxidant capacity, was a stimulator of anti-inflammatory cytokines and non-inducer of proinflammation proposed for Alzheimer’s. Conclusively, we have considered the dynamic interaction of cells, their microenvironment, and proportional-orchestrating-host- immune pathways by multi-target-directed CPPs resembling single-molecule polypharmacology. This strategy might fill the therapeutic gap in complex resistant disorders and increase the candidates’ clinical-translation chance.

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44

Kumari, Shikha, Chandra Bhushan Mishra, and Manisha Tiwari. "Polypharmacological Drugs in the Treatment of Epilepsy: The Comprehensive Review of Marketed and New Emerging Molecules." Current Pharmaceutical Design 22, no. 21 (May 30, 2016): 3212–25. http://dx.doi.org/10.2174/1381612822666160226144200.

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45

Allen, B., S. Mehta, N. Ayad, and S. Schurer. "DD-01 * LIGAND- AND STRUCTURE-BASED VIRTUAL SCREENING TO DISCOVER POLYPHARMACOLOGICAL DUAL EGFR AND BRD4 INHIBITORS." Neuro-Oncology 16, suppl 5 (November 1, 2014): v60. http://dx.doi.org/10.1093/neuonc/nou246.1.

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46

Tao, Li, Min Xu, Xiaojun Dai, Tengyang Ni, Dan Li, Feng Jin, Haibo Wang, et al. "Polypharmacological Profiles Underlying the Antitumor Property ofSalvia miltiorrhizaRoot (Danshen) Interfering with NOX-Dependent Neutrophil Extracellular Traps." Oxidative Medicine and Cellular Longevity 2018 (August 19, 2018): 1–16. http://dx.doi.org/10.1155/2018/4908328.

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Danshen, the dried root ofSalvia miltiorrhiza, one of the most investigated medicinal plants with well-defined phytochemical constituents, has shown prominent clinical outcomes for antioxidant, anti-inflammatory, and anticoagulant activities to attain vascular protection and additional benefits for cancer therapy. More recently, activation of neutrophil and excessive formation of neutrophil extracellular traps (NETs) have been observed in pathological conditions of metastatic cancers; thus, we hypothesized that suppression of NETs could account for an essential cellular event underlying Danshen-mediated reduction of the incidence of metastasis. Using an experimental pulmonary metastases model of red fluorescent protein- (RFP-) labeled gastric cancer cells in combination with macroscopic ex vivo live-imaging system, our data indicated that Danshen impaired the fluorescent intensity and quantity of metastatic nodules. Moreover, Danshen could prevent neutrophil trafficking to the metastatic sites with decreased plasma levels of neutrophil elastase (NE) and procoagulant potential featured by fibrinogen. We further established phorbol 12-myristate 13-acetate- (PMA-) induced NET formation of human neutrophils and screened representative active compounds derived from the hydrophilic and hydrophobic fractions of Danshen using qualitative and quantitative methods. As a result, we found that salvianolic acid B (Sal B) and 15,16-dihydrotanshinone I (DHT I) exhibited superior inhibitory activities on NET formation and significantly attenuated the levels of citrullinated histone H3 (citH3), a biomarker for NET formation. Multitarget biochemical assays demonstrated that Sal B and DHT I distinctly modulated the enzymatic cascade involved in NET formation. Sal B and DHT I could disrupt NET formation at the earlier stage by blocking the activities of myeloperoxidase (MPO) and NADPH oxidase (NOX), respectively. Lastly, combining treatment of Sal B and DHT I under subED50doses displayed remarkable synergism effect on NET inhibition. Altogether, these data provide insight into how promiscuous compounds from herbal medicine can be effectively targeted NETs towards hematogenous metastasis of certain tumors.

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47

Mok, Simon Wing-Fai, Vincent Kam-Wai Wong, Hang-Hong Lo, Ivo Ricardo de Seabra Rodrigues Dias, Elaine Lai-Han Leung, Betty Yuen-Kwan Law, and Liang Liu. "Natural products-based polypharmacological modulation of the peripheral immune system for the treatment of neuropsychiatric disorders." Pharmacology & Therapeutics 208 (April 2020): 107480. http://dx.doi.org/10.1016/j.pharmthera.2020.107480.

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Cheng, Feixiong, Weihua Li, Zengrui Wu, Xichuan Wang, Chen Zhang, Jie Li, Guixia Liu, and Yun Tang. "Prediction of Polypharmacological Profiles of Drugs by the Integration of Chemical, Side Effect, and Therapeutic Space." Journal of Chemical Information and Modeling 53, no. 4 (April 8, 2013): 753–62. http://dx.doi.org/10.1021/ci400010x.

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Antony, Priya, Bincy Baby, Zahrah Al Homedi, Walaa Al Halabi, Amanat Ali, and Ranjit Vijayan. "Polypharmacological potential of natural compounds against prostate cancer explored using molecular docking and molecular dynamics simulations." International Journal of Computational Biology and Drug Design 13, no. 2 (2020): 181. http://dx.doi.org/10.1504/ijcbdd.2020.10029439.

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Antony, Priya, Bincy Baby, Zahrah Al Homedi, Walaa Al Halabi, Amanat Ali, and Ranjit Vijayan. "Polypharmacological potential of natural compounds against prostate cancer explored using molecular docking and molecular dynamics simulations." International Journal of Computational Biology and Drug Design 13, no. 2 (2020): 181. http://dx.doi.org/10.1504/ijcbdd.2020.107314.

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