西部中医药2026，Vol.39Issue(1)：45-52,8.DOI:10.12174/j.issn.2096-9600.2026.01.10
基于网络药理学和分子对接技术探讨开郁种玉汤治疗非器质性女性不孕症的机制
Mechanism of Qi Stagnation-relieving Offspring-generating Decoction in the Treatment of Non-organic Female Infertility:Network Pharmacology and Molecular Docking Technology
摘要
Abstract
Objective:To study the mechanism of Kaiyu Zhongyu Tang(Qi stagnation-relieving offspring-generating decoction)in the treatment of non-organic female infertility(NOFI)using network pharmacology and molecular docking.Methods:The active ingredients and targets of the medicine were gained from TCMSP,PharmMapper and SwissTargetPrediction,disease-related genes were screened from GeneCard,PharmGkb,TTD and Genemap databases,cytoscape 3.8.0 was utilized to construct medicine-active ingredients-targets-disease network map,PPI results were obtained via STRING platform,cytoscape 3.8.0 was applied to draw the map and conduct key sub-module analysis,GO and KEGG signaling pathway analysis were performed using Gene Denovo.AutoDock and PyMOL were used to validate the molecular docking of the selected key chemical ingredients and targets,and to perform the visualization.Results:The study has gained 58 active ingredients of the decoction,647 herbal targets and 2468 disease-related targets.The potential active ingredients mainly contained paeoniflorin,kaempferol and beta-sitosterol,the targets were AKT1,MAPK3,SRC,MAPK1,CXCL8,and biological processes covered the regulation of multicellular biological processes,and positive regulation of multicellular biological processes.The pathways principally referred to VEGF,AGE/RAGE,PI3K/AKT signaling pathway.Molecular docking results demonstrated that Mairin and rosenonolactone had good binding with the targets of AKT1,SRC and MAPK1.Conclusion:Qi stagnation-relieving offspring-generating decoction could treat and prevent NOFI via multi-ingredient,multi-target and multi-pathway.关键词
非器质性女性不孕症/开郁种玉汤/网络药理学/分子对接Key words
non-organic female infertility/Qi stagnation-relieving offspring-generating decoction/network pharmacology/molecular docking分类
医药卫生引用本文复制引用
赵靖昌,丛超,吴盼晴,徐莲薇..基于网络药理学和分子对接技术探讨开郁种玉汤治疗非器质性女性不孕症的机制[J].西部中医药,2026,39(1):45-52,8.基金项目
国家自然科学基金(81704105) （81704105）
上海市海派中医流派传承延伸计划项目(ZY2021-2023-0209). （ZY2021-2023-0209）
