基于网络药理学和分子对接探讨青菊清肝和胃方治疗肝胃郁热型慢性浅表性胃炎的作用机制  

Exploring the mechanism of Qingju Qinggan Hewei Fang in treating chronic superficial gastritis of liver and stomach stagnation type based on network pharmacology and molecular docking

作　　者：张滢 赵少宁 ZHANG Ying;ZHAO Shaoning(School of Traditional Chinese Medicine,Hebei North University,Zhangjiakou 075132,China;不详)

机构地区：[1]河北北方学院中医学院,河北张家口075132 [2]廊坊市中医医院中医内科,河北廊坊065000

出　　处：《中国处方药》2025年第5期1-7,共7页Journal of China Prescription Drug

摘　　要：目的基于网络药理学及分子对接技术探究青菊清肝和胃方治疗慢性浅表性胃炎(CSG)的分子机制。方法通过中药系统药理学数据库与分析平台(TCMSP)及症状映射(SymMap)数据库筛选青菊清肝和胃方主要活性成分,并通过SwissTargetPrediction网站进行靶点预测;同时从基因卡片(GeneCards)、DisGeNET、在线《人类孟德尔遗传》(OMIM)数据库筛选CSG的疾病靶点;通过VENNY2.1预测得到青菊清肝和胃方与CSG的交集靶点。利用Cytoscape3.10.0软件构建“药物-成分-作用靶点”网络图,并通过基因/蛋白质互相作用检索分析工具(STRING)获取蛋白质-蛋白质相互作用(PPI)网络,使用Cytoscape3.10.0对PPI网络进行可视化分析;采用注释、可视化和集成发现的数据库(DAVID)对交集靶基因进行基因本体论(GO)功能富集和京都基因与基因组百科全书(KEGG)通路富集分析;运用Cytoscape3.10.0软件构建“药物-成分-靶点-疾病-通路”网络图;然后使用Autodock软件和Pymol软件将药物活性成分配体与靶蛋白受体进行对接,并可视化。结果共获得92个青菊清肝和胃方活性成分及847个复方相关靶点,同时获得1044个CSG潜在靶点。取两者交集后,得到“药物-疾病”共同靶点187个。“药物-成分-靶点-疾病-通路”网络拓扑学分析提示,天然维生素E、半齿泽兰素、木犀草素、艾黄素和金合欢素等可能是青菊清肝和胃方治疗CSG的重要活性成分。基于拓扑学参数分析,得出蛋白激酶B1(AKT1)、类固醇受体辅激活因子(SRC)、表皮生长因子受体(EGFR)、基质金属蛋白酶9(MMP9)、前列腺素内过氧化物合成酶2(PTGS2)是青菊清肝和胃方治疗CSG的主要核心靶点。根据GO功能和KEGG通路富集分析,预测药物发挥作用的信号通路可能途径包括:癌症途径、前列腺癌、血脂与动脉粥样硬化、癌症中的蛋白聚糖、卡波西肉瘤相关疱疹病毒感染、EGFR酪氨酸激酶抑制剂耐药性、�Objective To explore the molecular mechanism of Qingju Qinggan Hewei Fang in the treatment of chronic superficial gastritis(CSG)based on network pharmacology and molecular docking technology.Methods Traditional Chinese Medicine Systems Pharmacology(TCMSP)and Symptom Mapping(SymMap)databases were used to obtain the main active ingredients of Qingju Qinggan Hewei Fang,and SwissTargetPrediction website were used to predict the target.GeneCard database,DisGeNET database,and Online Mendelian Inheritance in Man(OMIM)database were used to obtain the disease targets for CSG.The intersection targets of Qingju Qinggan Hewei Fang and CSG were predicted through VENNY2.1.The"drug-active ingredient-target"network diagram was constructed using Cytoscape 3.10.0 software.the Search Tool for the Retrieval of Interacting Genes/Proteins(STRING)database was used to establish a Protein-Protein Interaction(PPI)network,and Cytoscape 3.10.0 was used for the visualization analysis.Gene Ontology(GO)functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis of the intersecting target genes were performed by Database for Annotation,Visualization and Integrated Discovery(DAVID),and Cytoscape 3.10.0 was used to establish a"drug-component-target-disease-pathway"network.Autodock and Pymol software were used to dock the active ingredient ligand of the drug with the target protein receptor,and visualized.Results A total of 92 active components and 847 related targets were obtained from Qingju Qinggan Hewei Fang,along with 1044 potential targets for CSG.After intersection analysis,187 common targets for"drug-disease"were obtained.Topological analysis of the"drug-component-target-disease-pathway"network suggested that natural Vitamin E,Eupatorin,Luteolin,Artemetin,and Acacetin may be key active components for Qingju Qinggan Hewei Fang in treating CSG.Based on topological parameters,protein kinase B1(AKT1),steroid receptor coactivator(SRC),epidermal growth factor receptor(EGFR),matrix metalloprotein 9(

关 键 词：青菊清肝和胃方 慢性浅表性胃炎 网络药理学 分子对接 

分 类 号：R73[医药卫生—肿瘤]