中医康复2025，Vol.2Issue(8)：18-25,34,9.DOI:10.19787/j.issn.2097-3128.2025.08.004
基于网络药理学和分子对接技术探讨健胃散结汤治疗胃癌的作用机制
The Mechanism of Jianwei Sanjie Decoction in the Treatment of Gastric Cancer Based on Network Pharmacology and Molecular Docking Technology
摘要
Abstract
Objective:To explore the mechanism of Jianwei Sanjie decoction on gastric cancer based on network pharmacology and molecular docking technology.Methods:Firstly,TCMSP,Batman-TCM,SwissTargetPrediction database was used to obtain the com-ponents and targets of Jianwei Sanjie decoction,and Uniprot database was applied for converting gene names.Secondly,acquiring relevant disease targets in Therapeutic Target Database,GeneCards and Drugbank databases with"gastric cancer","gastric carci-noma","stomach cancer"as the key words,and obtaining the intersection targets with Venny2.1 to construct the network of"tradi-tional Chinese medicine-ingredients-targets-diseases".Thirdly,using String database to analyze protein interaction,drawing PPI pro-tein network diagram by CytoScape software,and realizing GO and KEGG enrichment analysis through the R Programming Lan-guage.And then the molecular docking prediction and visualization results were displayed by Autoduck and Pymol software.Re-sults:There were 40 active ingredients,418 targets,12645 disease targets,373 intersection targets,3428 GO enrichment biological processes,169 cell components,265 molecular functions and 192 KEGG enrichment pathways in Jianwei Sanjie Decoction.The re-sults of molecular docking indicated that Hederageni had good binding ability with HIF1α.Quercetin,Stigmaster,β-Sitosterol,Al-oeemodin had good binding ability with TNF.Conclusion:Hederageni,Quercetin,Stigmaster,β-Sitosterol,Aloeemodin and other ac-tive ingredients in Jianwei Sanjie decoction may regulate HIF1α,TNF,IL6,INS,IL-1β and other targets,and control cell apoptosis,cell migration,cell growth and tumor angiogenesis through VEGF signaling pathway,PD-1/PD-L1 signaling pathway,TNF signal-ing pathway,Th17 cell differentiation pathway IL-17 signaling pathway and HIF-1 signaling pathway.关键词
健胃散结汤/胃癌/分子对接/网络药理学Key words
Jianwei Sanjie decoction/gastric cancer/molecular docking/network pharmacology分类
医药卫生引用本文复制引用
刘歆,谭松,赵啸虎,慕岳峻,曲倩倩..基于网络药理学和分子对接技术探讨健胃散结汤治疗胃癌的作用机制[J].中医康复,2025,2(8):18-25,34,9.基金项目
山东省中医药科技项目(Q-2023196) （Q-2023196）
烟台市科技计划项目(2023YD075) （2023YD075）
