首页|基于UPLC-Q-Exactive Orbitrap MS和网络药理学研究银甲片治疗盆腔炎的有效成分及作用机制

基于UPLC-Q-Exactive Orbitrap MS和网络药理学研究银甲片治疗盆腔炎的有效成分及作用机制

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目的:研究银甲片治疗盆腔炎的有效成分及作用机制.方法:利用超高效液相色谱-四极杆-静电场轨道阱高分辨质谱法(UPLC-Q-Exactive Orbitrap MS),结合文献与对照品比对鉴定银甲片的化学成分.将化学成分和盆腔炎疾病的交集靶点导入String数据库构建蛋白质-蛋白质相互作用(PPI)网络;通过DAVID数据库进行基因本体(GO)富集分析和京都基因与基因组百科全书(KEGG)通路富集分析;采用Cytoscape 3.9.1 软件构建药材-成分-靶点-通路可视化图;利用Maestro 11.9 软件进行分子对接.结果:从银甲片中共鉴定 58 个化学成分,包含黄酮类、有机酸类、萜类、生物碱类.PPI分析得到类固醇受体辅激活因子(SRC)、热休克蛋白 90α家族A类成员 1(HSP90AA1)、磷脂酰肌醇 3-激酶调节亚基 1(PIK3R1)、信号转导和转录激活因子 3(STAT3)、丝裂原活化蛋白激酶 3(MAPK3)5 个核心靶点;KEGG 结果显示银甲片主要通过磷脂酰肌醇 3-激酶-蛋白激酶 B(PI3K-Akt)、MAPK 等通路发挥作用.分子对接结果表明,木犀草苷、山柰酚、木犀草素、香叶木素等成分与 SRC、HSP90AA1、PIK3R1 等 5 个核心靶点的对接构象稳定.结论:银甲片可能通过木犀草苷、山柰酚、木犀草素、香叶木素、芹菜素等活性成分调控PI3K-Akt、MAPK等通路发挥治疗盆腔炎作用.
Effective Components and Mechanism of Yinjia Tablets in Treating Pelvic Inflammatory Disease
Objective:To study the effective components and mechanism of Yinjia Tablets in treating pelvic inflammatory disease.Methods:The chemical components of Yinjia Tablets were identified by ultra-performance liquid chromatography-quadrupole-Exactive Orbitrap-mass spectrometry(UPLC-Q-Exactive Orbitrap MS)combined with comparison with literature data and reference substances.The common targets shared by the chemical components and pelvic inflammatory disease were imported into String database to construct the protein-protein interaction(PPI)network.Gene ontology(GO)enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis were performed with DAVID.Cytoscape 3.9.1 was used to establish the"medicinal material-component-target-pathway"network.Molecular docking was performed in Maestro 11.9.Results:A total of 58 chemical components were identified in Yinjia Tablets,including flavonoids,organic acids,terpenoids,and alkaloids.Five core targets were obtained by the PPI network analysis,including steroid receptor coactivator(SRC),heat shock protein 90 alpha family class A member 1(HSP90AA1),phosphoinositide-3-kinase regulatory subunit 1(PIK3R1),signal transducers and activators of transcription 3(STAT3),and mitogen-activated protein kinase 3(MAPK3).The KEGG analysis results showed that Yinjia Tablets mainly exerted the therapeutic effect via phosphatidylinositol 3-kinase-protein kinase B(PI3K-Akt),MAPK and other pathways.Molecular docking results showed stable binding of luteoloside,kaempferol,luteolin,and diosmetin with five core targets including SRC,HSP90AA1,and PIK3R1.Conclusion:Yinjia Tablets may play a role in the treatment of pelvic inflammatory disease by regulating the PI3K-Akt and MAPK pathways via the active components such as luteoloside,kaempferol,luteolin,diosmetin,and apigenin.

Yinjia Tabletspelvic inflammatory diseaseUPLC-Q-Exactive Orbitrap MSchemical componentmechanism

黄雪梅、丁银、苟晓玲、熊双凤、宗毅、唐策、范刚、黄叶芳

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成都中医药大学,四川 成都 611137

成都中医药大学 附属医院,四川 成都 610075

银甲片 盆腔炎 超高效液相色谱-四极杆-静电场轨道阱高分辨质谱法 化学成分 作用机制

国家自然科学基金青年科学基金项目四川省科技计划项目

822051752022YFS0415

2024

中国现代中药
中国中药协会,中国医药集团总公司,中国药材公司

中国现代中药

CSTPCD
影响因子:0.65
ISSN:1673-4890
年,卷(期):2024.26(7)
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