基于网络药理学与分子对接方法探究中医扶正治疗肺癌的机制  

Exploring the Mechanism of TCM Fuzheng in Treating Lung Cancer Based on Network Pharmacology and Molecular Docking

作　　者：尹松 周汨 陈熙 丁融 YIN Song;ZHOU Mi;CHEN Xi;DING Rong(Xiangtan Medical and Health Vocational and Technical College Xiangtan,Hunan 411104;The First People's Hospital of Xiangtan City,Xiangtan,Hunan 411104)

机构地区：[1]湘潭医卫职业技术学院,湖南湘潭411104 [2]湘潭市第一人民医院,湖南湘潭411104

出　　处：《智慧健康》2025年第1期76-80,共5页Smart Healthcare

基　　金：湘潭市2022年指导性科技计划项目《基于网络药理学的中医扶正治肺癌的作用机制研究》(项目编号:ZP-ZDJH2022054)。

摘　　要：目的运用网络药理学和分子对接方法探究中医扶正治疗肺癌的机制。方法通过TCMSP数据库筛选有效成分和相关作用靶点,并利用GeneCards、OMIM、PharmGKb、TTD、DrugBank数据库获得肺癌的相关靶点,两者取交集得到药物-肺癌的潜在作用靶点;运用Cytoscapea软件分析药物-肺癌潜在靶点的蛋白互作(PPI)关系图,筛选关键靶点;再对关键靶点进行GO分析和KEGG分析,最后进行分子对接验证。结果五个关键成分槲皮素、木犀草素、山柰酚、7-甲氧基-2-甲基异黄酮、7-O-甲基异微凸剑叶莎醇有良好的结合活性,可能作用于MAPK1、AKT1、HSP90AA1、FOS、MYC、CASP3、ESR1、CDK4、CDKN1A、BCL2、TP53、STAT3、MAPK3共13个关键靶点,发挥治疗肺癌的作用。结论中医扶正治疗肺癌可能以13个关键靶点通过多种信号通路达到治疗效果。Objective To explore the mechanism of TCM fuzheng in treating lung cancer using network pharmacology and molecular docking methods.Methods Effective components and related action targets were screened through the TCMSP database,and lung cancer-related targets were obtained from databases such as GeneCards,OMIM,PharmGKb,TTD,and DrugBank.The intersection of these targets was taken to identify potential targets for drug-lung cancer action.Cytoscape software was used to analyze the protein-protein interaction (PPI) network of the drug-lung cancer potential targets to select key targets.Then,GO analysis and KEGG analysis were performed on the key targets,followed by molecular docking validation.Results Five key components,including quercetin,luteolin,kaempferol,7-methoxy-2-methyl isoflavone,and 7-O-methyl isomucronulatol,showed good binding activity and may act on 13 key targets such as MAPK1,AKT1,HSP90AA1,FOS,MYC,CASP3,ESR1,CDK4,CDKN1A,BCL2,TP53,STAT3,and MAPK3,playing a role in the treatment of lung cancer.Conclusion TCM fuzheng in treating lung cancer may achieve therapeutic effects through multiple signaling pathways via 13 key targets.

关 键 词：中医扶正治疗 肺癌 网络药理学 分子对接 

分 类 号：R73[医药卫生—肿瘤]