Effect mechanism of Taohe Chengqi Decoction in the treatment of chronic prostatitis based on network pharmacology and molecular docking
Objective To study the molecular mechanism of Taohe Chengqi Decoction in the treatment of chronic prostatitis by network pharmacology and molecular docking.Methods The effective active components and effect targets of Taohe Chengqi Decoction were screened by traditional Chinese medicine systems pharmacology(TCMSP)database and literatures,and the protein targets were transformed into gene names by UniProt database.The disease targets related to chronic prostatitis were obtained from Genecard and comparative toxicogenomics database(CTD)databases,and the intersection genes were obtained by intersection with the targets of Taohe Chengqi Decoction.The intersection genes were submitted to the STRING database to obtain the protein-protein interaction relationship.The protein-protein interaction networks was drawn by Cytoscape software,and the core proteins were screened by CytoNCA plug-in.Kyoto encyclopedia of genes and genomes(KEGG)signal pathway enrichment analysis were conducted by R software.With the help of PubChem database,Chem3D software,protein data bank(PDB)database,PyMOL software,AutoDockTools software and Vina software,molecular docking between active ingredients and key targets was carried out.Results There were a total of 136 active components in Taohe Chengqi Decoction,and there were 154 intersecting targets between the effect target and the disease target.The active components without intersecting targets were removed,and 120 active components were finally screened out.15 core proteins such as protein kinase B(AKT)1,mitogen activated protein kinase(MAPK)1,signal transducer and activator of transcription 3(STAT3)and MAPK3 were obtained by protein-protein interaction analysis.31 pathways related to chronic prostatitis were obtained by pathway enrichment analysis,such as tumor necrosis factor(TNF),MAPK,janus tyrosine kinase-signal transducer and activator of transcription(JAK-STAT),phosphatidylinositol 3 kinase(PI3K)-AKT and nuclear facter-kappa B(NF-κB).Molecular docking showed that the active components had good binding ability with key targets.Conclusions Taohe Chengqi Decoction in the treatment of chronic prostatitis involves a variety of active components of traditional Chinese medicine,multiple effect targets and multiple signal pathways.
万方数据
维普
