Integrating network pharmacology and molecular docking to explore the potential mechanism of Xinguan No. 3 in the treatment of COVID-19

Abstract Xinguan No. 3 has been recommended for the treatment of coronavirus disease 2019 (COVID-19); however, its potential mechanisms are unclear. This study aims to explore against COVID-19 through network pharmacology and molecular docking. We first searched ingredients in three databases (Traditional Chinese Medicine Systems Pharmacology Database Analysis Platform, Traditional Medicines Integrated Database, The Encyclopedia Medicine). active components their targets were predicted SwissTargetPrediction website. can be found on GeneCards Protein interaction analysis, screening key targets, functional enrichment target genes, signaling pathway analysis performed Search Tool Retrieval Interacting Genes databases, Metascape Kyoto Genomes (KEGG) databases. Finally, affinity with core was verified by results showed that five had screened, including MAPK1, NF-κB1, RELA, AKT1, MAPK14. Gene ontology revealed associated inflammatory responses external stimuli. KEGG indicated main pathways influenza A, hepatitis B, Toll-like receptor pathway, NOD-like TNF pathway. Therefore, might play a role treating anti-inflammatory, immune responses, regulatory