医学信息2026，Vol.39Issue(9)：36-44,9.DOI:10.3969/j.issn.1006-1959.2026.09.005
基于二仙孕子丸治疗多囊卵巢综合征所致不孕症作用机制的网络药理学和分子对接分析
Network Pharmacology and Molecular Docking Analysis of the Mechanism of Erxian Yunzi Pills in the Treatment of Infertility Caused by Polycystic Ovary Syndrome
摘要
Abstract
Objective To explore the effect and molecular mechanism of Erxian Yunzi pills in the treatment of infertility caused by polycystic ovary syndrome by network pharmacology and molecular docking technology.Methods The main components of Erxian Yunzi pills were screened from the TCMSP database,and the potential targets were obtained by using the UniProt database.The GeneCard database and OMIM database were used to search and screen the targets related to infertility caused by polycystic ovary syndrome.The drug and disease targets were intersected,and the protein-protein interaction(PPI)network was obtained through the String database,and Cytoscape3.7.2 software was used for visual analysis.The potential mechanism of common targets identified by GO and KEGG pathway enrichment analysis was analyzed by R software function package,and the results were visualized by microbiome.AutoDockVina1.1.2 and PyMoL software were used to verify the molecular docking between the main active compounds of Erxian Yunzi pills and the key targets of infertility caused by polycystic ovary syndrome.Results A total of 218 compounds were found in Erxian Yunzi pills.There were 201 potential targets and 22 core targets for Erxian Yunzi pills in the treatment of infertility caused by polycystic ovary syndrome.Based on signal pathway analysis,there were 5 core key targets closely related to the treatment of infertility caused by polycystic ovary syndrome,which were TP53,IL6,AKT1,TNF and STAT3.The results of GO functional enrichment analysis showed that Erxian Yunzi pills was mainly involved in the biological processes of various cellular stress responses.KEGG signaling pathway enrichment analysis showed that potential targets were highly enriched in inflammation,oxidative stress and cancer pathways.Molecular docking verified that the active components of Erxian Yunzi Pills,quercetin,luteolin,kaempferol,lupeol,were docked stably with TP53,IL6,AKT1,TNF and STAT3,among which quercetin had the best binding to AKT1.Conclusion The therapeutic effect of Erxian Yunzi pills on infertility caused by polycystic ovary syndrome is the effect of multiple targets and multiple signaling pathways of bioactive components.The findings of this study can pave the way for subsequent basic experimental verification and new research directions.关键词
多囊卵巢综合征/不孕症/网络药理学/分子对接/二仙孕子丸Key words
Polycystic ovary syndrome/Infertility/Network pharmacology/Molecular docking/Erxian Yunzi pills分类
医药卫生引用本文复制引用
李蒙茹,冯亚宏,张晓静,王乐..基于二仙孕子丸治疗多囊卵巢综合征所致不孕症作用机制的网络药理学和分子对接分析[J].医学信息,2026,39(9):36-44,9.基金项目
1.国家中医药管理局 2022年青年岐黄学者培养项目(编号:国中医药人教函[2022]256号) （编号:国中医药人教函[2022]256号）
2.2017 年自治区青年拔尖人才(编号:宁人社涵[2017]787号) （编号:宁人社涵[2017]787号）
3.2023 年中央财政转移支付地方项目-中医药循证能力提升项目(妇科)(编号:国中医药科技中药便函[2023]24号) （妇科）
