基于网络药理学及分子对接技术探究黄连温胆汤治疗盆腔炎性疾病作用机制  

Mechanism of Huanglian Wendan Decoction in treatment of pelvic inflammatory disease based on network pharmacology and molecular docking technology

作　　者：刘瑜[1] 钱宇星 招敏虹 曾美玲 高修安[1] LIU Yu;QIAN Yuxing;ZHAO Minhong;ZENG Meiling;GAO Xiuan(Department of Traditional Chinese Medicine,Foshan Women and Children Hospital,Guangdong Province,Foshan 528000,China;The Second Clinical School of Medicine,Southern Medical University,Guangzhou 510515,China)

机构地区：[1]广东省佛山市妇幼保健院中医科,佛山528000 [2]南方医科大学第二临床医学院,广州510515

出　　处：《广西医科大学学报》2025年第2期255-260,共6页Journal of Guangxi Medical University

基　　金：佛山市自筹经费类科技创新项目资助(No.2320001006977);佛山市中医药高端人才培养项目资助(No.佛卫办函〔2022〕222号);广东省名中医传承工作室建设项目资助(No.粤中医办函〔2020〕1号)。

摘　　要：目的:应用网络药理学和分子对接技术探索黄连温胆汤治疗盆腔炎性疾病的作用机制。方法:应用中药系统药理学数据库和分析平台(TCMSP)搜索黄连温胆汤主要药物成分以及作用靶点,再通过GeneCards、孟德尔遗传数据库(OMIM)及Dis‐GeNET数据库获取盆腔炎性疾病的相关靶基因。取两者交集靶点,应用Cytoscape软件梳理出“中药—有效成分—靶点—疾病”网络,并进行网络拓扑分析得到核心靶点。应用R语言和Metascape数据库对核心靶点进行基因本体(GO)功能富集分析和京都基因与基因组百科全书(KEGG)通路富集分析,并在此基础上应用分子对接技术对有效成分和核心靶点之间的结合能力进行验证。结果:共获得黄连温胆汤主要有效成分161个,黄连温胆汤治疗盆腔炎性疾病的靶点695个。网络和富集分析提示槲皮素、山奈酚、异鼠李素和刺芒柄花素等有效成分是黄连温胆汤治疗盆腔炎性疾病的主要有效成分,NOS3、MAPK14、F2、NOS2、ESR1等基因是黄连温胆汤治疗盆腔炎性疾病的潜在核心靶点。筛选出的靶点显著富集晚期糖基化终末产物-晚期糖基化终末产物受体(AGE-RAGE)、白细胞介素-17(IL-17)、肿瘤坏死因子(TNF)等信号通路。结论:黄连温胆汤主要通过槲皮素、山奈酚、异鼠李素和刺芒柄花素等活性成分作用于NOS3、MAPK14、F2、NOS2、ESR1等靶基因,介导AGE-RAGE、IL-17、TNF等信号通路发挥对盆腔炎性疾病的治疗作用。Objective:To explore the mechanism of Huanglian Wendan Decoction in the treatment of pelvic inflammatory disease using network pharmacology and molecular docking technology.Methods:The main active components and targets of Huanglian Wendan Decoction were identified using the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP).Relevant target genes for pelvic inflammatory disease were then obtained from the GeneCards,Online Mendelian Inheritance in Man(OMIM),and DisGeNET databases.Taking the intersection target of the two,the“traditional Chinese medicine-active ingredient-target-disease”network was identified by Cytoscape software,and the core targets were obtained by network topology analysis.R language and Metascape database were used to conduct Gene Ontology(GO)enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis for core targets.On this basis,molecular docking technology was applied to verify the binding ability between active components and core targets.Results:A total of 161 main active components and 695 targets of Huanglian Wendan Decoction for treating pelvic inflammatory disease were identified.Network and enrichment analyses suggested that quercetin,kaempferol,isorhamnetin,and formononetin were the key active components in Huanglian Wendan Decoction for treating pelvic inflammatory disease.The genes NOS3,MAPK14,F2,NOS2,and ESR1 were identified as potential core targets for the treatment of pelvic inflammatory disease.The screened targets were significantly enriched in advanced glycation end products-receptor for advanced glycation end-products(AGE-RAGE),interleukin-17(IL-17),tumor necrosis factor(TNF)and other signaling pathways.Conclusion:Huanglian Wendan Decoction mainly exerts its therapeutic effect on pelvic inflammatory disease by acting on target genes such as NOS3,MAPK14,F2,NOS2,and ESR1 through active ingredients such asquercetin,kaempferol,isorhamnetin and formononetin,and mediating signaling pathways such as AG

关 键 词：黄连温胆汤 盆腔炎性疾病 网络药理学 分子对接 

分 类 号：R711.33[医药卫生—妇产科学]