Mechanism of Houpo Sanwu Decoction in treatment of constipation based on network pharmacology and molecular docking method
Objective To explore the effective components,targets,signaling pathways and molecular mechanisms of Houpo Sanwu Decoction in treatment of constipation by using network pharmacology and molecular docking methods.Methods TCMSP database platform was used to screen the effective components and target of Houpo Sanwu Decoction.Targets related to constipation were collected through GeneCards,OMIM,TTD,PharmGkb,and DrugBank databases.The network diagram of"drug ingredients-potential targets"was constructed using Cytoscape 3.8.2 software.The target protein interaction(PPI)network diagram was constructed by importing String database.The gene ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analyses were performed for key targets using R language.Autodock software was used for molecular docking to further verify the stable binding between the compound and the target.Results The related activities of Houpo Sanwu Decoction on constipation were obtained,including aloe emodin,luteolin,and naringin.Topological analysis was performed by CytoNCA to further screen the core targets of interleukin(IL)-1B,vascular endothelial growth factor(VEGFA),mitogen activated protein kinase 3(MAPK3),cyclin D1(CCND1),tumor protein P53(TP53),etc.GO enrichment analysis showed 2 008 biological processes(BP),67 cell components(CC),123 molecular functions(MF),and 153 KEGG pathways.The results of molecular docking showed that the active components of Houpo Sanwu Decoction combined stably with its target.Conclusion Houpo Sanwu Decoction is used to treat constipation through multiple pathways,multiple components and multiple targets.
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