Network Pharmacology Integrated Molecular Docking Reveals the Anti-COVID-19 and SARS Mechanism of Fufang Banlangen Keli

Purpose Fufang Banlangen Keli (FBK) has been recommended for its clinical treatment of Coronavirus disease 2019 (COVID-19) and severe acute respiratory syndrome (SARS), but the mechanism action is unclear. So, using network pharmacology molecular docking, we studied active components FBK in COVID-19 SARS. Methods The Encyclopedia Traditional Chinese Medicine Systems Pharmacology Database Analysis Platform were used to screen by oral bioactivity drug likeness. Then, PharmMapper SwissTargetPrediction databases potential target genes components; related SARS obtained from GeneCards database. intersection disease-related targets was performed Venny2.1.0 DAVID6.8 database KOBAS3.0 get gene ontology (GO) function enrichment Kyoto Genes Genomes pathway annotation targets. “components-targets-pathways (C-T-P)” conducted Cytoscape3.6.1 software. top components, angiotensin-converting enzyme 2 (ACE2) SARS-CoV-2 3 Cl, imported into AutoDock PyMOL docking. Results From FBK, a total 28 73 screened through pharmacology. Twenty pathways analyzed, including cancer, nod-like receptor signaling pathway, pancreatic etc. ( P < 0.05). A 337 items GO functional analysis 0.05), 257 biological process, 38 cell composition, 42 function. Furthermore, docking studies study binding between key selected components. Conclusion Based on technology, qingdainone, (2Z)-2-(2-oxoindolin-3-ylidene) indolin-3-one, sinensetin, acacetin verified bind ACE2 SARS-COV-2 so as treat