Exploration of the mechanism of Jinshi Biyuan decoction in the treatment of sinusitis based on network pharmacology and molecular docking
Aim To explore the mechanism of Jinshi Biyuan decoction in the treatment of sinusitis based on network pharma-cology and molecular docking.Methods The active components and their corresponding targets in Jinshi Biyuan decoction were i-dentified by using the TCMSP,BATMAN-TCM,and Uniprot databases.Disease-related targets associated with sinusitis were re-trieved from the Genecards,OMIM,and TTD databases.The overlapping targets between the drug and disease were then imported into Cytoscape 3.8.2 to construct a drug-target-disease visual network.This network was further analyzed by using PPI networks,gene ontology functional enrichment,and KEGG pathway analyses.Finally,molecular docking studies were performed on the key tar-gets.Results 75 common targets were revealed between Jinshi Biyuan decoction and sinusitis.PPI network analysis indicated strong interactions among these 75 targets,with the top 10 core targets identified as TP53,TNF,AKT1,IL-6,IL-1β,CASP3,CXCL8,CCL2,MAPK1,and BCL2.Enrichment analysis demonstrated that these key targets are closely associated with biological processes such as positive regulation of gene expression,negative regulation of apoptosis,and inflammatory responses.Molecular docking analysis further showed that TP53,TNF,AKT1,IL-1β,IL-6,CCL2,MAPK1,BCL2,CASP3,and CXCL8 had high binding affinities with small molecule compounds,exhibiting diverse biological functions.Conclusion Jinshi Biyuan decoction may exert therapeutic effects on sinusitis by modulating key targets such as TP53,TNF,AKT1,IL-1β,IL-6,CCL2,MAPK1,BCL2,CASP3,and CXCL8,thereby contributing to anti-inflammatory,anti-apoptotic,immune-enhancing,and angiogen-esis-promoting activities.
万方数据
维普
