摘要
目的 应用网络药理学方法和分子对接探讨参苓白术散治疗代谢相关脂肪性肝病的潜在作用机制.方法 根据TCMSP数据库搜集中药活性成分及其作用靶点,GeneCards、Drugbank数据库搜集疾病靶点,借助Cytoscape 3.9.1 软件预测关键活性成分及核心靶点.交集靶点通过STRING数据库进行蛋白互作分析,Metascape数据库进行GO功能和KEGG通路富集分析,最后借助AutoDock Vina 1.1.2 软件进行分子对接验证.结果 筛得关键活性成分有槲皮素、豆甾醇、山柰酚、木犀草素、β-谷甾醇、7-甲氧基-2 甲基异黄酮、柚皮素等,核心靶点有AKT1、TNF、IL6、TP53、VEGFA、IL1B、CASP3、ESR1、MAPK3、PTGS2,潜在作用靶点主要富集在P53、TNF、IL17、Th17 细胞分化等信号通路.分子对接结果显示结合力均良好.结论 参苓白术散治疗代谢相关脂肪性肝病具有多成分、多靶点、多通路的特点.
Abstract
OBJECTIVE To explore the potential mechanism of ShenLing BaiZhu powder in the treatment of metabolic associated fatty liver disease by using network pharmacology and molecular docking technolo-gy.METHODS The TCMSP database was used to collect the compound components of ShenLing BaiZhu powder and its target of action,and the GeneCards and Drugbank databases were used to collect the disease targets of meta-bolic associated fatty liver,and the key active components and core targets were screened with the help of Cytascape 3.9.1 software.Among them,the gene target of ShenLing Baizhu Powder-metabolic associated fatty liver was analyzed by protein interaction in STRING database and the GO function and KEGG pathway enrichment analysis in Metascape database.Finally,the molecular docking verification was carried out with AutoDock Vina 1.1.2 software.RESULTS The key active ingredients screened are quercetin,stigmasterol,kaempferol,luteolin,beta-sitosterol,7-Methoxy-2-methyl isoflavone and naringenin.The core targets are AKT1,TNF,IL6,TP53,VEGFA,IL1B,CASP3,ESR1,MAPK3,PTGS2.The potential targets are mainly concentrated in p53 signaling pathway,TNF signaling pathway,IL-17 signaling pathway,Th17 cell differentiation.Molecular docking results showed that the binding force was good.CONCLUSION The ShenLing BaiZhu powder has the characteristics of multi-component,multi-target and multi-path in the treatment of metabolic associated fatty liver disease.
维普
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