基于网络药理学和分子对接探讨人参皂苷Rg1治疗卵巢早衰的作用机制OA
Exploration of the mechanism of ginsenoside Rg1 in the treatment of premature ovarian failure based on network pharmacology and molecular docking
目的 运用网络药理学与分子对接的方法探讨人参皂苷 Rg1 治疗卵巢早衰(POF)的信号通路,并预测其可能的作用机制.方法 通过 CTD、GeneCards、HERB 和 OMIM 数据库获得人参皂苷 Rg1 及卵巢早衰的作用靶点;利用 Venn 在线工具筛选二者交集基因,并输入 STRING 数据库和 Cytoscape3.10.0 分析绘制蛋白质-蛋白质互作(PPI)网络;借助 DAVID 数据库进行富集分析;最后采用 AutoDock vina 进行分子对接,使用 PyMol 将结果可视化.结果 筛选出人参皂苷 Rg1 作用靶点 155 个,卵巢早衰的疾病靶点 949 个;药物与疾病的交集靶点 71 个,导入STRING 数据库获得"药物-疾病"蛋白互作网络图,探索了包括 TP53、AKT1、CTNNB1、ESR1、PIK3CA、TNF、IL-6 等在内的潜在核心靶点;通过 DAVID 数据库进行富集分析,结果显示主要的生物学过程包括正调节基因的表达、负调节基因的表达、对外源刺激的反应等;信号通路主要包括 p53 信号通路、PI3K/AKT 信号通路、Wnt/β-catenin 信号通路等.结论 人参皂苷 Rg1 可能通过多条通路作用于多个靶点发挥治疗卵巢早衰的功效,为进一步的实验研究及临床应用提供理论依据.
Objective To investigate the signaling pathways of ginsenoside Rg1 in the treatment of premature ovarian failure(POF)using network pharmacology and molecular docking methods,and to predict its possible mechanisms of action.Methods The target genes of ginsenoside Rg1 and POF were obtained from the CTD,GeneCards,HERB,and OMIM data-bases.The overlapping genes between the two were screened using the Venn online tool,and then entered into the STRING database and Cytoscape 3.10.0 for analysis to construct a protein-protein interaction(PPI)network.Enrichment analysis was conducted by the DAVID database.Finally,molecular docking was performed using AutoDock vina,and the results were visualized using PyMol.Results A total of 155 target genes of ginsenoside Rg1 and 949 disease target genes of POF were screened.71 overlapping target genes between the drug and the disease were identified and they were imported into the STRING database to generate a"drug-disease"protein interaction network.Potential core targets,including TP53,AKT1,CTNNB1,ESR1,PIK3CA,TNF,and IL-6,were explored.Enrichment analysis was conducted through the DAVID data-base,and the results showed that the main biological processes included positive regulation of gene expression,negative reg-ulation of gene expression,and response to external stimuli,etc.The main signaling pathways included p53 signaling path-way,PI3K/AKT signaling pathway,and Wnt/β-catenin signaling pathway,etc.Conclusion Ginsenoside Rg1 may exert therapeutic effects on premature ovarian failure through multiple pathways and multiple targets,which can provide a theoreti-cal basis for further experimental research and clinical application.
吴渟;周玥
大理大学医学部,云南 大理 671000大理大学医学部,云南 大理 671000
医药卫生
人参皂苷Rg1卵巢早衰网络药理学分子对接作用机制
ginsenoside Rg1premature ovarian failure(POF)network pharmacologymolecular dockingmechanism of action
《右江医学》 2026 (4)
327-336,10
国家自然科学基金(81860038)
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