广西医科大学学报2025，Vol.42Issue(2)：255-260,6.DOI:10.16190/j.cnki.45-1211/r.2025.02.013
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
摘要
Abstract
Objective:To explore the mechanism of Huanglian Wendan Decoction in the treatment of pelvic in-flammatory 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-dis-ease"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 tar-gets.Results:A total of 161 main active components and 695 targets of Huanglian Wendan Decoction for treat-ing 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 poten-tial 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 for-mononetin,and mediating signaling pathways such as AGE-RAGE,IL-17 and TNF.关键词
黄连温胆汤/盆腔炎性疾病/网络药理学/分子对接Key words
Huanglian Wendan Decoction/pelvic inflammatory disease/network pharmacology/molecular docking分类
临床医学引用本文复制引用
刘瑜,钱宇星,招敏虹,曾美玲,高修安..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[J].广西医科大学学报,2025,42(2):255-260,6.基金项目
佛山市自筹经费类科技创新项目资助(No.2320001006977) （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) （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) （No.粤中医办函[2020]1号）
