Mechanism of resveratrol in treatment of prostate cancer based on network pharmacology and molecular docking
Objective To investigate the potential mechanisms of resveratrol in prostate cancer through the integration of network pharmacology and molecular docking technologies.Methods The target of resveratrol was retrieved and collected from 9 drug target databases including TCMSP,HERB,and Drugbank.The corresponding targets of prostate cancer were obtained by using six disease target databases,such as DisGeNET,GeneCards,and OMIM.The intersection targets of drugs and diseases were obtained using Venny 2.1.0 platform.Then topological analysis was carried out using String database and Centiscape 2.2 plug-in of Cytoscape 3.9.1 software to further screen the anti-prostate action targets of resveratrol.Thirdly,String database and Cytoscape 3.9.1 software were used for topological analysis of the network,core targets were selected,and protein interaction(PPI)diagram was drawn.GO and KEGG enrichment analysis using the David database and visualization of the results using Rstudio software,AutoDoc 1.5.7 software was used for molecular docking of resveratrol with the core target.UALCAN database was used to verify the expression of core target genes in prostate cancer tissues.Results A total of 585 resveratrol action targets and 5 331 prostate cancer-related targets were collected,including 441 overlapping targets.After further screening,67 resveratrol anti-prostate action targets were obtained.The core targets are TP53,Akt1,STAT3,ESR1,JUN,SRC,CTNNB1,MAPK1.KEGG enrichment analysis mainly obtained the signal pathway of AGE-RAGE,PI3K/Akt,prolactin and so on.The results of molecular docking showed that resveratrol and the core target had good binding property.The results of core gene expression verification showed that TP53 and Akt1 were highly expressed in prostate cancer tissues,while STAT3,ESR1,CTNNB1,and MAPK1 were lower.Conclusion Resveratrol may modulate AGE-RAGE,PI3K/Akt,and other signaling pathways through targets such as TP53,Akt1,STAT3,ESR1,and JUN,thereby exerting anti-prostate cancer effects.
resveratrolprostate cancernetwork pharmacologymolecular dockingmechanism of actionTP53Akt1
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