摘要
目的通过网络药理学探讨二至丸治疗卵巢早衰(POF)的机制。方法通过中药系统药理数据库与分析平台收集女贞子、墨旱莲的活性成分及作用靶点;使用蛋白质数据库获取标准蛋白名并转换靶点基因名;使用GeneCards、OMIM、DrugBank数据库收集POF疾病基因靶点与复方中药靶点取交集;对潜在靶点进行GO和KEGG通路富集分析;构建中药成分靶点通路图。利用AutoDock Vina软件对关键活性成分与核心靶点进行分子对接验证。结果通过拓扑分析得到表皮生长因子受体(EGFR)、IL-6、肿瘤蛋白p53、丝裂原激活蛋白激酶14、重组人AKT1激酶、c-Fos蛋白、丝裂原活化蛋白激酶1等7个核心靶点;通过KEGG富集分析共得到172条信号通路,二至丸可能通过IL-17、P13/Akt、EGFR、FoxO、HIF-1等信号通路对POF起治疗作用。核心成分靶点的分子对接最小结合能均<-24.24 kJ/mol,表明配体分子与受体蛋白对接良好。结论二至丸可通过多种目标基因、分子通路治疗POF。
Objective To explore the mechanism of Erzhi Pill in the treatment of premature ovarian failure(POF)based on network pharmacology.Methods The active ingredients and targets of Ligustrum lucidum Ait.and Eclipta prostrata(L.)L.were collected through Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform.The standard protein names were obtained by UniProt and the target gene names were converted.The gene targets of POF and targets of traditional Chinese medicine(TCM)compounds were collected by GeneCards,OMIM,and DrugBank,and their intersection was obtained.Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analysis were performed for potential targets.The TCM component target pathway map was constructed.AutoDock Vina software was used to verify the molecular docking between key active ingredients and core targets.Results Seven core targets were obtained by topological analysis,including epidermal growth factor receptor(EGFR),IL-6,tumor protein p53,mitogen-activated protein kinase 14,RAC-alpha serine/threonine-protein kinase,c-Fos protein,and mitogen-activated protein kinase 1.A total of 172 signaling pathways were obtained through KEGG enrichment analysis.Erzhi Pill might have therapeutic effects on POF through IL-17,P13/Akt,EGFR,FoxO,HIF-1 and other signaling pathways.The minimum binding energies of core component target molecular docking were all less than-24.24 kJ/mol,which indicated that the ligand molecules were well docked with the receptor protein.Conclusion Erzhi Pill can treat POF through multiple target genes and molecular pathways.
作者
张晋源
李慧娟
陈智勇
李楠
贺丰杰
ZHANG Jinyuan;LI Huijuan;CHEN Zhiyong;LI Nan;HE Fengjie(Xianyang Rainbow Hospital,Xianyang 712000,China;Jiangxi University of Chinese Medicine,Nanchang 330006,China;Affiliated Hospital of Shaanxi University of Chinese Medicine,Xianyang 712000,China)
出处
《空军军医大学学报》
2025年第4期493-499,共7页
Journal of Air Force Medical University
基金
国家自然科学基金(81603656)。
关键词
二至丸
卵巢早衰
网络药理学
作用机制
分子对接
Erzhi Pill
premature ovarian failure
network pharmacology
mechanism of action
molecular docking
