甘肃中医药大学学报2026，Vol.43Issue(4)：36-46,11.DOI:10.16841/j.issn1003-8450.2026.04.07
基于网络药理学和分子对接探讨黄芪-菟丝子-丹参-枸杞子治疗早发性卵巢功能不全的作用机制
Study on the mechanism of Astragalus membranaceus-Cuscuta chinensis-Salvia miltiorrhiza-Lycium barbarum in treating premature ovarian insufficiency based on network pharmacology and molecular docking
摘要
Abstract
Objective To investigate the mechanism of action of Astragalus membranaceus,Cuscuta chinensis,Salvia miltiorrhiza,and Lycium barbarum in treating premature ovarian insufficiency(POI)using network pharma-cology and molecular docking techniques.Methods The active compounds and targets of the four herbs(Astraga-lus membranaceus,Cuscuta chinensis,Salvia miltiorrhiza,and Lycium barbarum)were screened using the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP).POI-related disease targets were collected from the GeneCards database.The intersection of drug and disease targets yielded potential therapeu-tic targets for POI treatment.A protein-protein interaction(PPI)network was constructed using the STRING data-base and Cytoscape 3.8.1 software to identify core targets.Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analyses were performed using Metascape.Finally,molecular docking was used for validation.Results A total of 137 active compounds,264 drug targets,and 1264 POI disease targets were identified,resulting in 143 potential therapeutic targets after intersection.Four key active compounds(querce-tin,kaempferol,isorhamnetin,and β-sitosterol)and five core targets[tumor necrosis factor(TNF),interleukin-6(IL6),caspase-3(CASP3),matrix metalloproteinase-9(MMP9),and signal transducer and activator of transcrip-tion 3(STAT3)]were further screened.GO enrichment analysis revealed 1911 biological processes(BP),101 cel-lular components(CC),and 223 molecular functions(MF).KEGG pathway enrichment analysis mainly involved the phosphatidylinositol 3-kinase(PI3K)/protein kinase B(Akt)signaling pathway,TNF signaling pathway,and IL-17 signaling pathway.Molecular docking results showed that the binding energies between key active compounds and core targets were all ≤-5.0 kcal/mol,indicating the formation of stable hydrogen bond networks.Conclusion As-tragalus membranaceus,Cuscuta chinensis,Salvia miltiorrhiza,and Lycium barbarum may exert therapeutic effects by targeting CASP3,STAT3,TNF,IL-6,and MMP9 through core components such as quercetin,kaempferol,isorhamne-tin,and β-sitosterol,thereby inhibiting granulosa cell apoptosis,alleviating ovarian inflammation,and improving stro-mal fibrosis,demonstrating the advantages of multi-component,multi-target,and multi-pathway mechanisms.关键词
早发性卵巢功能不全/黄芪-菟丝子-丹参-枸杞子/网络药理学/分子对接/作用机制Key words
premature ovarian insufficiency(POI)/Astragalus membranaceus-Cuscuta chinensis-Salvia miltior-rhiza-Lycium barbarum/network pharmacology/molecular docking/mechanism of action分类
医药卫生引用本文复制引用
李亚梅,岳斌,李静,张春花,孙红梅..基于网络药理学和分子对接探讨黄芪-菟丝子-丹参-枸杞子治疗早发性卵巢功能不全的作用机制[J].甘肃中医药大学学报,2026,43(4):36-46,11.基金项目
国家自然科学基金地区项目(82260949,82560954) （82260949,82560954）
甘肃省自然科学基金项目(24JRRA631). （24JRRA631）
