【摘要】 目的通过网络药理学研究方法和分子对接技术预测归肾丸治疗多囊卵巢综合征(PCOS)的作用机制。方法利用TCMSP数据库,收集归肾丸有效成分并预测其作用靶标,通过GeneCards与OMIM数据库筛选出多囊卵巢综合征的靶标,运用R软件获取疾病交集靶标,绘制韦恩图。运用Cytoscape软件构建归肾丸治疗多囊卵巢综合征的"药物-成分-靶标-疾病"网络,通过STRING数据库构建靶标蛋白相关作用网络并进行关键靶标的GO功能富集分析及KEGG通路富集分析。通过Autodock Vina软件对药物有效成分与疾病靶标进行分子对接验证。结果筛选得到归肾丸治疗多囊卵巢综合征的78个有效成分和78个药物-疾病共同靶标,并推断其作用机制可能与介导PI3K-Akt、HIF-1及TNF等124条信号通路相关。槲皮素、山柰酚、豆甾醇等有效成分与PTGS1、ESR1、PGR等靶标对接结果良好。结论归肾丸有效成分可能通过抗炎性反应、改善胰岛素抵抗、促进卵泡发育、控制血糖稳态、调节脂质代谢、调节激素水平等药理作用来治疗多囊卵巢综合征。更多还原

【Abstract】 Objective To predict the mechanism of Guishen pills in the treatment of polycystic ovary syndrome(PCOS) through network pharmacology method and molecular docking technology.Methods The TCMSP database was used to collect the active ingredients of Guishen pills and their targets were predicted. The targets of PCOS were screened out through GeneCards and OMIM databases, and R software was used to obtain targets intersection.Then, a Venn diagram was drawn. Cytoscape software was applied to construct the "drug-component-targetdisease"network of Guishen pills for the treatment of PCOS. We constructed the target protein interaction network through the STRING database and performed the GO function enrichment analysis of key targets and the KEGG pathway enrichment analysis. Autodock Vina software was used to verify the interaction between the active ingredients of the drug and the disease target.Results 78 active ingredients and 78 drug-disease common targets of Guishen pills in the treatment of PCOS were screened, and its mechanism of action was inferred to be related to mediating 124 signaling pathways such as PI3 K-Akt, HIF-1 and TNF, etc.. Effective ingredients(quercetin,kaempferol and stigmasterol) have good docking results with targets(PTGS1, ESR1 and PGR).Conclusion The active ingredients of Guishen pills may treat PCOS through anti-inflammatory response, improvement of insulin resistance,promotion of follicular development,control of blood glucose homeostasis,regulation of lipid metabolism,and regulation of hormone levels.更多还原