基于网络药理学和生物信息学研究苍附导痰丸治疗多囊卵巢综合征的分子机制＊

目的 探讨苍附导痰丸治疗多囊卵巢综合征（Polycystic ovary syndrome,PCOS）的潜在机制。方法 通过检索中药系统药理学数据库和分析平台（Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform,TCMSP）中苍附导痰丸组成药物的成分数据,筛选其有效成分和作用靶点;检索Drug Bank、GeneCards、OMIM、PharmGKB及Uniprot疾病数据库中PCOS相关靶点;检索GEO数据库,选择多囊卵巢综合征的差异表达基因。构建苍附导痰丸和PCOS成分、靶点间的相互关系网络,利用筛选出的关键靶点,构建蛋白互作（Protein-protein interaction,PPI）网络;在GO功能和KEGG信号通路富集的基础上,得出苍附导痰丸治疗PCOS的作用机制,进一步用分子对接技术验证靶点之间结合的可靠性。结果 共筛选出活性成分单体46个,159个苍附导痰丸治疗PCOS的共同靶点。结论 苍附导痰丸治疗PCOS具有多成分、多靶点、多通路的特点,推测苍附导痰丸可能通过调节炎症微环境从而改善肥胖型PCOS患者胰岛素抵抗,通过调节雌激素信号通路改善卵巢功能,因而可以改善肥胖及卵巢排卵的临床症状,为后期研究苍附导痰丸治疗PCOS的作用机制提供了新的理论支撑。

Study on the Molecular Mechanism of Cangfu Daotan Pill Treating Polycystic Ovary Syndrome based on Network Pharmacology and Bioinformation

Objective To explore the potential mechanism of Cangfu Daotan pill in the treatment of polycystic ovary syndrome (PCOS).Methods Effective components and targets were searched from Traditional Chinese Medicine Systems Pharmacology Database And Analysis Platform (TCMSP); PCOS-related disease targets were searched from Drug Bank, Genecards, OMIM, PharmGKB and UniProt disease database; GEO database was searched to select differential genes of polycystic ovary syndrome. The network of interaction between active ingredients of Cangfu Daotan pill and known PCOS-related action targets was built, and the protein-protein interaction (PPI) network was constructed by using the selected key targets; based on the enrichment analysis of gene ontology (GO) function and Kyoto encyclopedia of genes and genomes (KEGG) signal pathway, the mechanism of Cangfu Daotan pill treating PCOS was obtained, and the reliability of binding between targets was further verified by molecular docking technology.Results A total of 46 active components and 159 common targets of Cangfu Daotan pill in the treatment of PCOS were selected.Conclusion The characteristics of Cangfu Daotan pill treating PCOS has multi-component, multi-target and multi-channel. It is speculated that Cangfu Daotan pill may improve insulin resistance in obese PCOS patients by regulating inflammatory microenvironment, and improve ovarian function by regulating estrogen signaling pathway, so it can improve the clinical symptoms of obesity and ovarian ovulation, which provides a reference for the later study of Cangfu Daotan pill in the treatment of PCOS and new theoretical support.