Study on the mechanism of Huanglian Jiedu decoction in the treatment of Candida albicans infection based on network pharmacology and molecular docking
Objective To explore the mechanism of action of Huanglian Jiedu decoction in the treatment of Candida albi-cans infection by network pharmacology and molecular docking,and to provide theoretical basis for clinical application and basic research.Methods TCMSP and BATMAN-TCM databases were used to search the effective components and targets of Huanglian Jiexing decoction,and disease-related targets were collected through GeneCards,OMIM,PharmGkb,TTD and DrugBank databases.The'active ingredient-target'network was constructed by Cytoscape 3.8.0 software,and the in-tersecting protein interaction(PPI)network was constructed by STRING platform.Cytoscape was used to analyze the net-work topology and obtain the core targets.GO enrichment and KEGG pathway enrichment analysis were carried out by R language.Finally,the main active ingredients were verified by molecular docking with the core targets.Results The active components of Huanglian Jiedu decoction in the treatment of Candida albicans infection were quercetin,kaempferol,wogo-nin and neobaicalein,and the core targets were HIF1A,MMP9,AKT1,FN1,PTGS2,IFNG,IL1B,STAT1 and CASP8.The enrichment yielded IL-17 signalling pathway,Th17 cell differentiation and Toll-like receptor signalling pathway,which mainly exert therapeutic effects through regulating biological processes such as inflammatory response and cellular immunity.The molecular docking results showed that the main active components have strong binding energy with the core targets.Conclusion Huanglian Jiedu decoction can treat Candida albicans infection through multiple components,targets and path-ways,providing theoretical basis and reference for clinical application and basic research.
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