Study on the Action Mechanism of Isodon suzhouensis Stems in the Treatment of Prostate Cancer Based on UPLC-Q-TOF-MS/MS Combined with Network Pharmacology and Molecular Docking  

作　　者：Peigui LIU Weiqing ZHANG Xianji LIU Meihui DUAN Weixian YANG Meiqi WEI 

机构地区：[1]People's Hospital of Anshun City,Anshun 561000,China

出　　处：《Agricultural Biotechnology》2023年第5期91-97,共7页农业生物技术(英文版)

基　　金：Supported by Science and Technology Project of Guizhou Provincial Health Commission(gzwkj2021-364);Social Development Project of Anshun City Science and Technology Bureau in 2022(ASKS[2022]39);Social Development Project of Anshun City Science and Technology Bureau in 2021(ASKS[2021]41).

摘　　要：[Objectives]This study was conducted to explore the action mechanism of chemical components from stems of Isodon suzhouensis on prostate cancer based on UPLC-Q-TOF-MS/MS technique,network pharmacology,and molecular docking validation.[Methods]UPLC-Q-TOF-MS/MS was applied to search active components in stems of I.suzhouensis,and SwissTargetPrediction and PharmaMapper databases were used to predict their potential targets.The GeneCards database was adopted to screen the targets of prostate cancer,and the targets of the active components and the targets of prostate cancer were intersected to obtain common targets.A protein-protein interaction network was constructed,and also,an"active component-target-disease-pathway"network was constructed using Metascape for gene ontology function and Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis.Moreover,AutoDock was adopted to perform molecular docking verification on key active components and core targets.[Results]Sixty three active components were screened from stems of I.suzhouensis,and they had 233 common targets with prostate cancer,mainly involving biological processes such as protein phosphorylation,response to hormones,active regulation of cell movement,cell response to lipids,and response to oxidative stress,as well as pathways in cancer,prostate cancer,micro ribonucleic acids in cancer,p53 signaling pathway,NF-κB signaling pathway and other signaling pathways,exerting anti-tumor effects.Molecular docking showed that the top 5 key active components had good binding ability with the top 5 core targets.[Conclusions]Active components from stems of I.suzhouensis can exert therapeutic effects on prostate cancer through multiple targets and pathways.

关 键 词：Stem of Isodon suzhouensis UPLC-Q-TOF-MS/MS Network pharmacology Molecular docking Prostatic cancer 

分 类 号：R285[医药卫生—中药学]