Predicting the Molecular Mechanism of Sini Jia Renshen Decoction in Treating Severe COVID-19 Patients Based on Network Pharmacology and Molecular Docking

Objective: To explore the potential mechanism of Sini jia Renshen Decoction (SJRD) in treatment COVID-19 based on network pharmacology and molecular docking. Methods: The active compounds therapeutic targets SJRD were collected through Traditional Chinese Medicine Systems Pharmacology Database (TCMSP). Then a string database was used to build protein–protein interactions (PPI) between proteins, use David perform gene ontology (GO) function enrichment analysis Kyoto Encyclopedia Genes Genomes (KEGG) pathway core targets. we Cytoscape software construct an ingredients-core target-signaling network, finally ingredients molecularly docked with predict COVID-19. Results: A total 136 compounds, 51 93 signaling pathways selected. Molecular docking results revealed that quercetin, 3,22-dihydroxy-11-oxo-delta(12)-oleanene-27-alpha-methoxycarbonyl-29-oic acid, 18α-hydroxyglycyrrhetic gomisin B ignavine had considerable binding ability ADRB2, PRKACA, DPP4, PIK3CG IL6. Conclusions: This study preliminarily explored multiple components，multiple targets，and by pharmacology．