中医药导报2025，Vol.31Issue(6)：81-87,107,8.DOI:10.13862/j.cn43-1446/r.2025.06.014
基于超高效液相色谱-串联质谱法结合网络药理学与分子对接技术探究妇科止痒片治疗阴道炎的药理机制
Exploring the Pharmacological Mechanism of Gynecological Antipruritic Tablets in Treating Vaginitis Based on UPLC-MS/MS Combined with Network Pharmacology and Molecular Docking Technology
摘要
Abstract
Objective:To analyze the active components and mechanism of Gynecological Antipruritic Tablets in treating vaginitis based on ultra-performance liquid chromatography-tandem mass spectrometry(UPLC-MS/MS),network pharmacology,and molecular docking technology.Methods:UPLC-MS/MS was em-ployed to identify the chemical components of Gynecological Antipruritic Tablets.Key components and core targets for treating vaginitis were screened using network pharmacology and further validated by molecular docking.Results:A total of 20 components were identified in Gynecological Antipruritic Tablets,all exhibiting antibacterial and anti-inflammatory effects,including 14 active ingredients.There were 1 886 vaginitis-related genes,with 166 overlapping genes between the drug and the disease.Key targets for vaginitis treatment included serine/threonine kinase 1(Akt1),tumor necrosis factor(TNF),epidermal growth factor receptor(EGFR),matrix metalloproteinase-9(MMP-9),and hypoxia-inducible factor-1α(HIF-1α).Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analysis suggested that the therapeutic effect of Gynecological Antipruritic Tablets on vaginitis may involve pathways such as cancer signaling,phosphatidylinositol 3-kinase-serine/threonine kinase(PI3K-Akt)signaling,ERBB signaling,and advanced glycation end product-receptor(AGE-RAGE)signaling in diabetic complications.Molecular docking results demonstrated strong binding affinity between core active components and key targets,with chelerythrine and MMP-9 exhibiting a binding energy of-45.6 kJ/mol.Conclusion:The main anti-inflammatory components of Gynecological Antipruritic Tablets include pipecolic acid,isofraxidin,tetrahydrojatrorrhizine,protopine,chelerythrine,senkyunolide H,tetrahydroberberine,jatrorrhizine,berberine hydrochloride,palmatine hydrochloride,daidzein,(-)-pinoresinol,ethylparaben,and hydroxy-genkwanin.Gynecological Antipruritic Tablets exert therapeutic effects on vaginitis through multiple components,pathways,and targets.关键词
阴道炎/妇科止痒片/超高效液相色谱-串联质谱/网络药理学/分子对接Key words
vaginitis/Gynecological Antipruritic Tablets/UPLC-MS/MS/network pharmacology/molecular docking分类
医药卫生引用本文复制引用
王宁香,冯婷,李建华,李孙寒,杨涛,戴航..基于超高效液相色谱-串联质谱法结合网络药理学与分子对接技术探究妇科止痒片治疗阴道炎的药理机制[J].中医药导报,2025,31(6):81-87,107,8.基金项目
广西高等学校千名中青年骨干教师培育计划(桂教教师[2020]58号) （桂教教师[2020]58号）
桂派中医药传承创新团队(2022B005) （2022B005）
