基于网络药理学和分子对接技术探讨黄连阿胶汤"异病同治"慢性失眠和围绝经期综合征的作用机制OA
Exploration of the mechanism of action of Huanglian Ejiao decoction in treating chronic insomnia and peri menopausal syndrome based on network pharmacology and molecular docking
目的:采用网络药理学和分子对接技术探究黄连阿胶汤治疗慢性失眠和围绝经期综合征的药理作用机制.方法:通过中药分子机制的生物信息学分析工具(BATMAN-TCM)检索黄连阿胶汤中的化学成分及其作用靶点,在 GeneCards 数据库中获取慢性失眠和围绝经期综合征的疾病靶点,取黄连阿胶汤靶点基因与疾病靶点基因的交集,通过 STRING 数据库构建蛋白质-蛋白质相互作用网络,通过 Metascape 数据库对交集靶点进行基因本体论(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,最后利用 AutoDockVina对黄连阿胶汤的关键成分和核心靶点进行分子对接验证.结果:通过筛选得到 5 个关键成分,即槲皮素、黄连素、维生素 D3、粉防己碱、油酸;5 个核心靶点,即细胞肿瘤抗原 p53(cellular tumor antigen p53,TP53)、信号转导和转录激活因子 3(signal transducer and activator of transcription 3,STAT3)、丝氨酸/苏氨酸蛋白激酶 1(RAC-alpha serine/threonine-protein kinase,AKT1)、白细胞介素-6(interleukin-6,IL-6)、肿瘤坏死因子(tumor necrosis factor,TNF).由 GO 功能富集分析得到生物过程2 706个、细胞组成144个、分子功能287个,KEGG通路富集分析得到217条信号通路,主要涉及癌症中的信号通路、脂质与动脉粥样硬化等.结论:黄连阿胶汤通过多靶点与多途径对慢性失眠和围绝经期综合征起到"异病同治"的作用.
Objective:To explore the pharmacological mechanism of the Huanglian Ejiao decoction(黄连阿胶汤)for chronic insomnia and peripheral menopause syndrome by network pharmacology and molecular docking technology.Methods:The chemical components and target genes of the Huanglian Ejiao decoction were retrieved from BATMAN-TCM,and target genes of diseases were obtained from GeneCards.The intersection of diseases and drugs targets in the Huanglian Ejiao decoction was taken to build the protein-protein interaction network by STRING platform.The intersecting targets were imported into Metascape database for GO function and KEGG pathway enrichment analyses,and finally AutoDuckVina was used to verify the molecular docking between the key active ingredients of the Huanglian Ejiao decoction and the core targets.Results:Through screening,5 key ingredients were identified:quercetin,berberine,vitamin D3,tetrandrine and oleic acid,along with 5 core targets:TP53,STAT3,AKT1,IL-6 and TNF.GO functional enrichment analysis showed 2 706 biological processes,144 cell components and 287 molecular functions.There were 217 KEGG pathways,of which mainly involved pathways in cancer and lipid and atherosclerosis.Conclusion:The Huanglian Ejiao decoction has the effect of"treating different diseases with same method"for chronic insomnia and peripheral menopause syndrome through multiple targets and multiple pathways.
王松;陈静
成都中医药大学,四川 成都,610000成都中医药大学附属绵阳医院,四川 绵阳,621000
医药卫生
网络药理学分子对接黄连阿胶汤慢性失眠围绝经期综合征
Network pharmacologyMolecular dockingThe Huanglian Ejiao decoctionChronic insomniaPeripheral menopause syndrome
《中医临床研究》 2026 (17)
42-50,9
四川省名中医工作室建设项目(川中医药办函[2022]36号).
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