Mechanism of resveratrol in treatment of hepatocellular carcinoma associated with viral hepatitis B based on network pharmacology and molecular docking
Objective To explore the mechanism of resveratrol in treatment of hepatitis B virus-related liver cancer by using network pharmacology and molecular docking technology.Methods Swiss Target Prediction and Target Net database were used to predict the potential targets of resveratrol.GeneCards,OMIM,and DisGeNET database were searched to obtain the target information of hepatitis B-related liver cancer.The intersection targets of resveratrol and hepatitis B-related liver cancer were obtained by Venny diagram.PPI network of intersection targets was constructed by STRING database.Cytoscape software was used for network topology analysis to screen key targets.GO enrichment analysis and KEGG pathway analysis were performed on the intersection targets using the Metascape database."Drug-target-pathway"network was established by Cytoscape to explore the potential mechanism of resveratrol in treatment of hepatitis B-related liver cancer.Mechanism of action of resveratrol and key targets was further clarified by molecular docking.Results A total of 496 resveratrol targets were predicted,1 018 disease targets were obtained by screening and deduplication,and 48 intersection targets were finally obtained.The top 10 key targets were TNF,MMP9,EGFR,Bcl-2,CXCR4,HSP90AA1,HSP90AB1,PTGS2,KDR,and ESR1.GO and KEGG enrichment analysis mainly focused on phosphorus metabolism,cell migration and other functions.The signal transduction pathways involved mainly included pathways in cancer,lipids and atherosclerosis,chemokine signaling pathway,IL-17 signaling pathway,AGE-RAGE signaling pathway in diabetic complications,HIF-1 signaling pathway,etc.Results of molecular docking showed that the binding energy of resveratrol to key targets was less than 0.Conclusion Resveratrol may regulate AGE-RAGE signaling pathway,IL-17 signaling pathway and other signaling pathways through multiple targets such as TNF,Bcl-2,CXCR4,EGFR,etc.Thereby inhibiting tumor cell proliferation,inhibiting tumor angiogenesis,and promoting tumor cell apoptosis to play a role in treatment of hepatitis B-related liver cancer.
resveratrolhepatitis B virus-related liver cancernetwork pharmacologymolecular dockingTNFMMP9EGFRBcl-2
NETL
NSTL
万方数据
