Mechanism of Shenqi Fujian Granules in treating sequelae of COVID-19 based on network pharmacology and molecular docking method
Journal Title: Journal of Air Force Medical University - Year 2023, Vol 44, Issue 7
Abstract
Objective To explore the mechanism of Shenqi Fujian Granules in treating sequelae of coronavirus disease 2019 (COVID-19) based on network pharmacology. Methods Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform, Integrative Pharmacology-based Research Platform of Traditional Chinese Medicine and Encyclopedia of Traditional Chinese Medicine databases were used to screen active ingredients and obtain potential action targets. COVID-19-related targets were obtained from GeneCards, TTD and DisGeNET databases. Jvenn software was used to map the intersection targets of drugs and diseases, namely the potential action targets. The intersection targets were imported into STRING platform and Cytoscape 3. 8. 2 software to construct disease and drug interaction network. Finally, molecular docking software was used to verify the binding ability of major active ingredients and key targets. Results A total of 468 potential targets, 3 008 COVID-19-related targets and 167 intersection targets of drugs and diseases were screened by Shenqi Fujian Granules. The core targets included STAT3, JUN, TP53, RELA, MAPK3, MAPK1, etc. The main active ingredients included quercetin, luteolin, kaempferol, stigmasterol and baicalin. Biological function analysis obtained 185 signaling pathways, including lipid and atherosclerosis, PI3K-AKT, MAPK, TNF, IL-17,etc. The results of molecular docking showed that there were molecular binding sites between the key active ingredients and the core targets, and there was strong binding activity. Conclusion Shenqi Fujian Granules may be used in the treatment of sequelae of COVID-19 through multiple target pathways such as anti-inflammation, anti-apoptosis and improvement of cellular oxidative stress.
Authors and Affiliations
GUO Chao, GAO Kai, QIAO Yi, DING Yi, MA Jing, WANG Jingwen
Keywords
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