Study of Active Components and Potential Targets of Shenfu Decoction in the treatment of COVID-19 Based on Network Pharmacology and Molecular Docking Method/ 基于网络药理学和分子对接探讨参附汤防治新型冠状病毒肺炎(COVID-19)的活性成分及靶点

2020 
Objective: To explore the potential active ingredients and mechanism of action of Shenfu Decoction in the treatment of COVID-19 based on network pharmacology and molecular docking technology Methods: The active ingredients and action targets of Shenfu decoction were searched by TCMSP database Cytoscape was used to construct drug-disease-target network The GO function enrichment and KEGG pathway analysis of the target protein were carried out by DAVID database clusterProfiler Molecular docking was performed with Autodock Vina to search the best targets Results: A total of 51 main ingredients and 126 corresponding targets were screened from Shenfu decoction, while 23 targets were closely related to COVID-19 Enrichment analysis of target pathway showed that Shenfu decoction was mainly used for cancer, herpes simplex infection, Influenza A, hepatitis B pathway, etc Molecular docking results showed that bisindigotin, which was the main ingredients in Shenfu decoction, had a good affinity with the ACE2 and 3CL hydrolysis of COVID-19 Conclusions: Shenfu decoction may play a potential preventive and therapeutic role on COVID-19 by regulating the immune and inflammatory responses
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