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All Studies   Meta Analysis    Recent:   

Network pharmacology and molecular docking reveal the mechanisms of action of Panax notoginseng against post-COVID-19 thromboembolism

Yuan et al., Review of Clinical Pharmacology and Pharmacokinetics - International Edition, doi:10.61873/DTFA3974
May 2024  
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Quercetin for COVID-19
23rd treatment shown to reduce risk in July 2021
 
*, now with p = 0.0031 from 11 studies.
No treatment is 100% effective. Protocols combine treatments. * >10% efficacy, ≥3 studies.
4,400+ studies for 79 treatments. c19early.org
In Silico study showing potential benefits of quercetin and ginsenosides from Panax notoginseng (PNGS) for post-COVID-19 thromboembolism. Authors used network pharmacology and molecular docking to analyze PNGS mechanisms against COVID-19-associated thromboembolism. Quercetin and ginsenosides were identified as top bioactive components in PNGS. Molecular docking revealed stable binding between quercetin and ginsenoside with key targets ACE, F3, IL-1β, MAPK1, and SERPINE1. Quercetin showed strong binding affinities to SERPINE1 (-8.7 kcal/mol), MAPK1 (-8.5 kcal/mol), and ACE (-8.3 kcal/mol). The study suggests PNGS may target COVID-19-induced thromboembolism through multiple pathways, including AGE/RAGE signaling, fluid shear stress and atherosclerosis, complement and coagulation cascades, and direct COVID-19 pathways.
58 preclinical studies support the efficacy of quercetin for COVID-19:
In Silico studies predict inhibition of SARS-CoV-2, or minimization of side effects, with quercetin or metabolites via binding to the spikeA,1,2,14,16,17,22,30,31,33,34,51,52, MproB,1,3,5,7,9,10,12,15,16,22,26,28-30,34,35,37,52,53, RNA-dependent RNA polymeraseC,1,24, PLproD,29,37, ACE2E,14,15,20,29,33,52, TMPRSS2F,14, helicaseG,21,26, endoribonucleaseH,31, cathepsin LI,18, Wnt-3J,14, FZDK,14, LRP6L,14, ezrinM,32, ADRPN,30, NRP1O,33, EP300P,8, PTGS2Q,15, HSP90AA1R,8,15, matrix metalloproteinase 9S,23, IL-6T,13,27, IL-10U,13, VEGFAV,27, and RELAW,27 proteins. In Vitro studies demonstrate efficacy in Calu-3X,40, A549Y,13, HEK293-ACE2+Z,47, Huh-7AA,17, Caco-2AB,39, Vero E6AC,11,34,39, mTECAD,42, and RAW264.7AE,42 cells. Animal studies demonstrate efficacy in K18-hACE2 miceAF,44, db/db miceAG,42,50, BALB/c miceAH,49, and rats54. Quercetin reduced proinflammatory cytokines and protected lung and kidney tissue against LPS-induced damage in mice49.
Yuan et al., 5 May 2024, peer-reviewed, 15 authors. Contact: juliu@tcd.ie.
In Silico studies are an important part of preclinical research, however results may be very different in vivo.
This PaperQuercetinAll
Network pharmacology and molecular docking reveal the mechanisms of action of Panax notoginseng against post-COVID-19 thromboembolism
Shouli Yuan, Ismael Obaidi, Tao Zhang, Maria Pigott, Shibo Jiang, Helen Sheridan, Junying Liu
Review of Clinical Pharmacology and Pharmacokinetics - International Edition, doi:10.61873/dtfa3974
Panax notoginseng (PNGS) is a potent folk therapy for blood-related diseases. However, further research is required to fully elucidate the mechanisms of its pharmacological activities and to explore its therapeutic potential for treating thromboembolism (TE) caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). This study aimed at analysing the molecular mechanisms of PNGS and at clarifying their potential role in treating TE induced by COVID-19, by employing network pharmacology and molecular docking. To this end, a network pharmacological approach was combined with expression profiling by high-throughput sequencing of GSE156701 so as to elucidate the compound constituents of PNGS for treating TE caused by SARS-CoV-2 at a systemic level. Protein-protein interaction network, Gene Ontology, and Kyoto Encyclopedia of Genes and Genomes analyses were employed in order to decipher the associated drug-target interactions. The integration of these results suggested that five targets, including the angiotensin-converting enzyme (ACE), the coagulation factor III (F3), interleukin-1 beta (IL-1β), the mitogenactivated protein kinase 1 (MAPK1), and the plasminogen activator inhibitor-1 (SERPINE1), represent major genes involved in thromboembolism. The data suggest that PNGS exerts collective therapeutic effects against TE caused by SARS-CoV-2, and provides a theoretical basis for further laboratory study of the active drug-like ingredients and the potential mechanisms of PNGS in TE treatment.
CONFLICT OF INTEREST STATEMENT The authors declare no conflicts of interest.
References
Arévalos, Ortega-Paz, Rodríguez-Arias, López, Castrillo-Golvano et al., Acute and chronic effects of COVID-19 on the cardiovascular system, J. Cardiovasc. Dev. Dis, doi:10.3390/jcdd8100128
Boozari, Hosseinzadeh, Natural products for COVID-19 prevention and treatment regarding to previous coronavirus infections and novel studies, Phytother. Res, doi:10.1002/ptr.6873
Coutts, The Psychopharmacology of Herbal Medicine: Plant Drugs That Alter Mind, Brain and Behavior, J. Psychiatry Neurosci
Ding, Zhu, Diao, Xu, Wang et al., Elucidation of the mechanism of action of ginseng against acute lung injury/acute respiratory distress syndrome by a network pharmacology-based strategy, Front. Pharmacol, doi:10.3389/fphar.2020.611794
Hossain, Kim, Possibility as role of ginseng and ginsenosides on inhibiting the heart disease of COVID-19: a systematic review, J. Ginseng Res, doi:10.1016/j.jgr.2022.01.003
Junior, Pêgo-Fernandes, COVID-19: long-term respiratory consequences, Sao Paulo Med. J, doi:10.1590/1516-3180.2021.139526052021
Khan, Iqtadar, Mumtaz, Heinrich, Pascual-Figal et al., Oral cosupplementation of curcumin, quercetin, and vitamin D3 as an adjuvant therapy for mild to moderate symptoms of COVID-19 --results from a pilot open-label, randomized controlled trial, Front. Pharmacol, doi:10.3389/fphar.2022.898062
Khan, The central role of PAI-1 in COVID-19: thrombosis and beyond, Am. J. Respir. Cell Mol. Biol, doi:10.1165/rcmb.2021-0208ed
Xie, Meng, Zhai, Zhou, Ye et al., Panax notoginseng saponins: a review of its mechanisms of antidepressant or anxiolytic effects and network analysis on phytochemistry and pharmacology, Molecules, doi:10.3390/molecules23040940
Yi, Potential benefits of ginseng against COVID-19 by targeting inflammasomes, J. Ginseng Res, doi:10.1016/j.jgr.2022.03.008
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