Objective To explore the pharmacologically active components,core targets,and molecular mechanism of the medicine pair of Ezhu-Sanleng in the treatment of prostate cancer(PCa).Methods The pharmacologically active components and target interactions of Ezhu-Sanleng were obtained based on the HERB and PubChem databases.The disease targets of PCa were obtained from Genecards,OMIM,PharmGkb,TTD,and DrugBank databases.The common targets were identified by taking the intersection of drug targets and disease targets.The Ezhu-Sanleng active components and PCa targets network was constructed by Cytoscape 3.9.0 software.The intersection targets were imported into the STRING database to build a protein-protein interaction network(PPI).Gene gontology(GO)functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis were conducted on potential targets.Finally,molecular docking validation of core targets and key pharmacologically active components was performed by AutoDockTools 1.5.7 software and other softwares.Results A total of 72 pharmacologically active components and 760 effective active component targets were screened.There were 13 001 disease-related targets for PCa and the intersection targets were 659.The key core components of the drug included curcumenone,sapindoside B,sanshool,(2s)-3',4'-methylenedioxy-5,7-dimethoxyflavane,apigenin,gaillardin,kaempferol,Sanleng acid,demethoxycurcumin,and 5,7,2',3'-tetrahydroxyflavone.PPI network analysis identified SRC,TP53,MAPK3,MAPK1,STAT3,HSP90AA1,AKT1,PIK3R1,RHOA,and GRB2 as core targets.GO and KEGG enrichment analyses showed that Ezhu-Sanleng in the treatment of PCa mainly involved signaling pathways related to cell proliferation,apoptosis,migration,and signal transduction.Molecular docking results revealed a strong binding affinity between the core targets and active components.Conclusion This study elucidated the key active components of Ezhu-Sanleng and their interactions with potential targets in the anti-PCa context.It highlights the characteristic of multiple components interacting with multiple targets,providing valuable references for further study of Ezhu-Sanleng in the treatment of PCa.
NETL
NSTL
万方数据
维普
