中医学报2025，Vol.40Issue(6)：1163-1170,8.DOI:10.16368/j.issn.1674-8999.2025.06.187
GEO基因芯片分析结合网络药理学及分子对接技术探讨"仙鹤草-莪术"治疗早期胃癌的分子机制
Molecular Mechanism of"Xianhecao-Ezhu"in Treatment of Early-stage Gastric Cancer by GEO Gene Chip Analysis,Network Pharmacology and Molecular Docking
摘要
Abstract
Objective:To explore the mechanism of action of"Xianhecao-Ezhu(Hairyvein agrimony-Curcuma zedoary)"drug pair in the treatment of early gastric cancer through GEO gene chip analysis combined with network pharmacology and molecular docking.Method:Obtain chip data of early gastric cancer from GEO database and screen differentially expressed genes using R language.Re-trieve the active ingredients and targets of Xianhecao and Curcuma zedoaria through the Traditional Chinese Medicine Systems Pharma-cology Database and Analysis Platform(TCMSP).Take the intersection of"Xianhecao-Ezhu(Hairyvein agrimony-Curcuma zedoa-ry)"and the target of early gastric cancer to obtain the intersection target of the two.Construct a protein-protein interaction(PPI)network using STRING 12.0 database.Visualize using Cytoscape 3.10.1 software and screen core targets using CytoHubba plugin.Per-form Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analysis using R software.Finally,AutoDock vina software was used to perform molecular docking between the active ingredient and the core target.Result:There were 1 706 differentially expressed genes in early gastric cancer,329 targets of"Xianhecao-Ezhu(Hairyvein agrimony-Curcuma zedoary)",and 161 intersecting targets of the two.There are 8 active ingredients in"Xianhecao-Ezhu(Hairyvein agrimony-Curcuma zedoary)",including catechins,tannic acid,kaempferol,luteolin,ivy extract,etc.The core targets include tumor protein 53(TP53),protein kinase B(AKT1),interleukin-6(IL-6),epidermal growth factor receptor(EGFR),etc.GO analysis mainly involves reactions to reactive oxy-gen species,oxidative stress,BCL2 family protein complexes,etc.The KEGG pathway mainly involves the PI3K-AKT signaling pathway,TNF signaling pathway,and IL-17 signaling pathway.Molecular docking shows that the binding energies are all＜6 kal·mol-1.Conclu-sion:"Xianhecao-Ezhu(Hairy vein agrimony-Curcuma zedoary)"drug pair may regulate signaling pathways such as PI3 K/AKT and IL-17 through components such as luteolin and ivy,and act on targets such as AKT1,EGFR,IL-6,thereby exerting a preventive and therapeutic effect on early gastric cancer.关键词
"仙鹤草-莪术"药对/早期胃癌/GEO基因芯片/网络药理学/分子对接Key words
"Xianhecao-Ezhu(Hairyvein agrimony-Curcuma zedoary)"drug pair/gastric cancer in early stage/GEO gene chip/Network pharmacology/molecular docking分类
医药卫生引用本文复制引用
任小军,张曼玲,赵慧慧,时昭红..GEO基因芯片分析结合网络药理学及分子对接技术探讨"仙鹤草-莪术"治疗早期胃癌的分子机制[J].中医学报,2025,40(6):1163-1170,8.基金项目
国家重点研发计划项目(2017YFC1700601) （2017YFC1700601）
武汉市卫生健康委员会青年项目(WZ22Q28) （WZ22Q28）
武汉市卫生健康委员会重点项目(WZ20A07) （WZ20A07）
