To explore the molecular mechanism of therapy of chronic prostatitis with Dioscorea and Cuscuta chinensis based on network pharmacology and molecular docking
The study is to reveal the molecular mechanism of therapy of chronic prostatitis with Dioscorea and Cus-cuta chinensis by using network pharmacology and molecular docking.The main active ingredients of Dioscorea and Cuscuta chinensis were obtained from TCMSP database,and the Drug targets of the main active ingredients were ob-tained from PubChem and SwissTargetPrediction database.The targets related to chronic prostatitis were obtained from Genecards database、Online Mendelian Inheritance in Man(OMIM)and DisGeNET database,and intersected with drug targets to obtain common targets.Gene Ontology(GO)analysis,Kyoto Encyclopedia of Genes and Ge-nomes enrichment analysis(KEGG)and protein-protein interaction(PPI)analysis were performed for the common targets by DAVID Bioinformatics Resources and STRING's website.Finally,molecular docking was carried out by Discovery Studio2019 software.A total of 13 active ingredients of Dioscorea and Cuscuta chinensis were screened out,Including Diosgenin,Sesamin,NSC63551,Isorhamnetin,beta-sitosterol,etc.There are 312 drug targets,and 162 common targets were obtained by intersection with disease targets,of which the core targets are SRC,EGFR,PIK3R1,MAPK3,AKT1,etc.There were 142 enrichment results by KEGG pathway,which were mainly related to Pathways in cancer,PI3K-Akt signaling pathway,MAPK signaling pathway,Chemical carcinogenesis-receptor activation,Th17 cell differentiation.Discovery studio2019 molecular docking results show that SRC and quercetin,EGFR,PIK3R1 and beta sitosterol,MAPK3 and NSC63551 had the highest binding degree.Dioscorea and Cuscuta chinensis can treat chronic prostatitis with multi-component,multi-target and multi-channel coordinated regula-tion,and may have the potential effect of inhibiting the progression of prostatitis to prostate cancer,which provides a new idea for further clinical research.
Dioscorea and Cuscuta chinensischronic prostatitistraditional Chinese medicinenetwork pharmacolo-gymolecular docking
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