基于网络药理学研究桑椹对多囊卵巢综合征的作用机制

Mechanism of action of mulberry in treatment of polycystic ovary syndrome:A study based on network pharmacology

目的:在网络药理学理论基础上,对中药桑椹治疗多囊卵巢综合征(PCOS)的作用机制进行研究分析。方法:检索TCMSP数据库,获取并汇总中药靶药桑椹的有效成分和作用部位;使用GeneCards、OMIM等数据库筛选PCOS的疾病相关作用位点;运用Venny 2.1.0软件和R软件,完成疾病与中药之间具有共同交集靶点的筛选,结合Cytoscape 3.8.2软件与STRING数据库完成中药桑椹与疾病PCOS可视化处理以及蛋白质-蛋白质相互作用(PPI)网络图的构建;通过结合R软件及Bioconductor网站的运用,完成对中心靶点的基因本体(GO)功能和京都基因与基因组百科全书(KEGG)通路富集分析;使用AutoDock Vina软件进行分子对接验证。结果:共得到桑椹单药的6个活性成分及其相关的166个作用靶点,与PCOS相关的基因有5470个,桑椹-PCOS的常见交集靶点有107个。GO分析结果表明显著富集在DNA结合转录因子等生物学过程。KEGG通路主要涉及脂质、动脉粥样硬化等。结论:本研究为桑椹单药治疗PCOS疗效筛选的进一步研究提供了基础与参考。

Objective:To investigate the mechanism of action of the traditional Chinese medicine(TCM)drug mulberry in the treatment of polycystic ovary syndrome(PCOS)based on the theory of network pharmacology.Methods:TCMSP database was searched to obtain and summarize the effective constituents and active parts of mulberry,and GeneCards,OMIM,and other databases were used to screen for the action sites of PCOS;Venny 2.1.0 software and R software were used to obtain the intersecting targets between the disease and the TCM drug,and Cytoscape 3.8.2 software and STRING database were used to perform the visualization of mulberry and PCOS and construct a protein-protein interaction(PPI)network.R software and Bioconductor website were used to perform the gene ontology(GO)functional enrichment analysis and the Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis of the core targets,and AutoDock Vina software was used for molecular docking validation.Results:A total of 6 active components and 166 related action targets were obtained for mulberry,and there were 5470 genes associated with PCOS,with 107 common intersecting targets obtained for mulberry and PCOS.GO analysis showed that the targets were significantly enriched in the biological processes including DNA binding with transcrip-tion factor,and the KEGG pathways mainly included lipid and atherosclerosis.Conclusion:This study provides a reference for further research on the clinical effect of mulberry monotherapy in the treatment of PCOS.