目的 通过网络药理学分析和分子对接技术来探讨桂枝茯苓丸治疗子宫肌瘤的分子靶点和机制。方法 通过TCMSP平台筛选桂枝茯苓丸的有效成分及相关靶点，从GEO数据库中获得子宫肌瘤疾病差异基因，并通过Perl软件获取差异基因；交叉基因经过构建蛋白质相互作用（PPI）网络，并进行基因本体（GO）和京都基因和基因组百科全书（KEGG）富集分析；将筛选出的关键活性成分和靶基因利用AutoDock软件进行分子对接，选择最佳结合靶标进行分子对接。结果 共筛选出92个活性化合物，其中活性成分槲皮素、山柰酚、黄芩苷、豆甾醇、β谷甾醇被确定为关联靶标最高的活性成分，获得交叉基因41个，其中PTGS2、PGR、NR3C2、GRIA2等为关联活性成分数量最多的靶标基因。通过拓扑分析，发现30个强关联蛋白，有11个靶点为中药的核心预测靶点。细胞组分（CC）共富集17个条目，分子功能（MF）共富集32个条目，生物过程（BP）共富集501个条目；KEGG通路富集共富集52个条信号通路，主要为基因在流体剪切应力与动脉粥样硬化、化学致癌–受体激活、脂质与动脉粥样硬化等通路。分子对接结果表明，桂枝茯苓丸的关键成分具有与目的基因E2F1、MMP9、BAX、FOS结合的良好潜力。结论 桂枝茯苓丸可能通过调控类固醇激素，流体剪切应力与动脉粥样硬化、化学致癌–受体激活通路等途径发挥作用。

Objective To explore the molecular target and mechanism of Guizhi Fuling Pills in treatment of hysteromyoma through network pharmacological analysis and molecular docking technology. Methods The active components and related targets of Guizhi Fuling Pills were screened by TCMSP platform, and the differential genes of uterine fibroids were obtained from GEO database, and the differential genes were obtained by Perl software. Protein interaction (PPI) network was constructed, and analyzed by Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis. The key active components and target genes were screened out for molecular docking using AutoDock software, and the best binding target was selected for molecular docking. Results A total of 92 active compounds of Guizhi Fuling Pills were screened, including quercetin, kaempferol, baicalin, stigmasterol β-sitosterol was identified as the highest active component of the associated target, and 41 cross genes were obtained, among which PTGS2, PGR, NR3C2, and GRIA2 were the target genes with the largest number of associated active components. Through topological analysis, it was found that 30 strongly associated proteins and 11 targets were the core prediction targets of traditional Chinese medicine. 17 entries were enriched in CC, 32 entries in MF, and 501 entries in BP. KEGG pathway enriches a total of 52 signal pathways, including genes are particularly enriched in fluid shear stress and atherosclerosis, chemical carcinogen receptor activation, lipid and atherosclerosis. The results of molecular docking showed that the key components of Guizhi Fuling Pills had good potential to combine with target genes E2F1, MMP9, Bax, and FOS. Conclusion Guizhi Fuling Pills may play a role by regulating steroid hormones, fluid shear stress and atherosclerosis, chemical carcinogen receptor activation pathway.

R285.5