首页|基于网络药理学及分子对接探讨二至丸治疗早发性卵巢功能不全的作用机制

基于网络药理学及分子对接探讨二至丸治疗早发性卵巢功能不全的作用机制

扫码查看
目的 基于网络药理学方法探讨二至丸治疗早发性卵巢功能不全(POI)的可能分子作用机制。方法 使用网络药理学平台(TCMSP)采集二至丸的有效成分和相关的基因;通过基因组注释数据平台(GeneCards)、人类孟德尔遗传数据库(OMIM)数据库获取POI疾病靶点;用蛋白互作网络数据库(STRING)构建蛋白质相互作用网络(PPI),通过CytoHubba筛选核心靶点。使用生物学信息注释数据库(DAVID)平台进行富集分析,采用Cytoscape 3。10。0 软件进行拓扑学分析,利用AutoDockTools进行分子对接。结果 二至丸内最主要的有效成分为槲皮素、木犀草素、山柰酚、刺槐素等,其中的AKT1、TP53 等是关键靶点,包含的通路主要为PI3K-Akt信号通路、流体剪切应力和动脉粥样硬化信号通路等。分子对接验证大部分靶点与成分能进行有效结合。结论 揭示二至丸能够经多种成分、靶点及多条信号通路对POI发挥协同治疗作用。
Study on the mechanism of Erzhi pills in treating premature ovarian insufficiency based on network pharmacology and molecular docking
Objective To explore the possible molecular mechanisms of Erzhi pills in the treatment of premature ovarian insufficiency(POI)based on network pharmacology.Methods The Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP)was used to collect the active ingredients and related genes of Erzhi pills,POI disease targets were obtained through the genome annotation data platform(GeneCards)and the Online Mendelian Inheritance in Man(OMIM)database,a protein-protein interaction(PPI)network was constructed using the protein-protein interaction networks database(STRING),and core targets were screened through CytoHubba.Enrichment analysis was conducted using the bioinformatics annotation database(DAVID)platform,topology analysis was performed using Cytoscape 3.10.0 software,and molecular docking was performed using AutoDockTools.Results The main active ingredients in Erzhi pills were quercetin,luteolin,kaempferol,locust,etc.Among them,AKT1,TP53,etc.were key targets,and the pathways include PI3K-Akt signaling pathway,fluid shear stress,atherosclerosis signaling pathway,etc.Molecular docking verifies that most targets and components could effectively bind.Conclusion Erzhi pills can exert synergistic therapeutic effects on POI through multiple components,targets,and multiple signaling pathways.

Erzhi pillsPremature ovarian insufficiencyNetwork pharmacologyMolecular docking

简万妍、王艳群、陈美玲、曾莉

展开 >

贵州中医药大学第二临床医学院,贵州贵阳 550002

贵州中医药大学第二附属医院妇科,贵州贵阳 550001

二至丸 早发性卵巢功能不全 网络药理学 分子对接

贵州省卫生健康委科学技术基金

gzwkj2022-408

2024

中国医药科学
海峡两岸医药卫生交流协会 二十一世纪联合创新(北京)医药科学研究院

中国医药科学

影响因子:1.083
ISSN:2095-0616
年,卷(期):2024.14(7)
  • 15