摘要
本文采用网络药理及分子对接技术探究槐耳治疗胃癌的作用机制。通过文献检索、HERB、SwissADME数据库筛选槐耳的活性成分,SwissTargetPrediction预测槐耳的作用靶点。在GeneCards、OMIM、PharmGkb、TTD、DrugBank数据库获取GC疾病靶点,用Cytoscape软件建立“药物成分-靶点网络”并进行分析。将槐耳活性成分靶点与GC靶点进行交集后,利用String数据库及Cytoscape软件构建蛋白互作关系网络(PPI)并分析,得出核心靶点。采用R4.3.1软件对槐耳治疗胃癌的交集靶点进行GO功能富集分析和KEGG通路富集分析,最后运用AutoDock Tools软件对主要成分和核心靶点进行分子对接验证。结果发现,最终获得槐耳活性成分22个、成分靶点共437个、疾病靶点1216个、药物-疾病交集靶点117个;槐耳治疗GC的核心基因主要涉及AKT1、CCND1、EGFR、ESR1、HSP90AA1、IL1B、MAPK8、MMP9、PTGS2、SRC、STAT3等,主要作用于内分泌抵抗、IL-17、TNF、FoxO等信号通路。结果表明,槐耳可能通过AKT1、CCND1、EGFR、ESR1、HSP90AA1、IL1B、MAPK8、MMP9、PTGS2、SRC、STAT3等靶点发挥诱导GC细胞周期停滞和死亡,减少GC细胞的生长、侵袭和迁移,抑制肿瘤组织血管生成的功能,从而起到治疗GC的作用。
To investigate the mechanism of action of Huaier in the treatment of gastric cancer(GC)by network pharmacology and molecular docking technology,the active ingredients of Huaier were screened by literature search,HERB and SwissADME databases,and the targets of Huaier were predicted by SwissTargetPrediction;the targets of GC were obtained from GeneCards,OMIM,PharmGkb,TTD and DrugBank databases,and the"Drug Ingredient-Target Network"was set up and analyzed by Cytoscape software.Cytoscape software was used to establish the"Drug Component-Target Network"and analyze it.After intersecting the active ingredient targets of Huaier with GC targets,the String database and Cytoscape software were used to construct protein-protein interactions network(PPI)and analyze it to derive the important targets of action.R4.3.1 software was used to analyze the GO functional enrichment and KEGG pathway enrichment of the intersected targets of Huaier for the treatment of gastric cancer,and finally,AutoDock Tools software was used to verify the molecular docking of the main components and core targets.Twenty-two active components of Huaier were finally obtained,with a total of 437 component targets,1216 disease targets,and 117 drug-disease intersection targets;the key genes of Sophora japonica for the treatment of GC were mainly involved in AKT1,CCND1,EGFR,ESRI,HSP90AA1,ILIB,MAPK8,MMP9,PTGS2,SRC and STAT3,which were mainly involved in the treatment of endocrine resistance,ILR2 and STAT3,acting on endocrine resistance,IL-17,TNF,FoxO and other signaling pathways.Therefore,it can be concluded that Huaier may play a role in the treatment of GC by inducing GC cell cycle arrest and death,reducing the growth,invasion and migration of GC cells,and inhibiting angiogenesis in tumor tissues through the targets of AKT1,CCND1,EGFR,ESR1,HSP90AA1,IL1B,MAPK8,MMP9,PTGS2,SRC,STAT3,and so on.
作者
席雨
范军杰
韩翔宇
董永红
XI Yu;FAN Junjie;HAN Xiangyu;DONG Yonghong(The First Clinical College of Shanxi University of Traditional Chinese Medicine,Jinzhong 030619,China;The Fifth Affiliated Clinical Medical College of Shanxi Medical University,Taiyuan 030000,China;Department of Gastrointestinal,Pancreatic and Hernia and Abdominal Wall Surgery,Shanxi Provincial People's Hospital,Taiyuan 030000,China)
出处
《生命的化学》
CAS
2024年第2期321-331,共11页
Chemistry of Life
基金
吴阶平医学基金会项目(320.6750.2022-3-41)。
关键词
槐耳
胃癌
网络药理
分子对接
huaier
gastric cancer
network pharmacology
molecular docking
作者简介
第一作者:席雨,E-mail:xy980224@163.com;通信作者:董永红,E-mail:youthdong007@163.com。
