基于网络药理学和分子对接探讨六神散治疗腹泻的作用机制

Mechanism of Liushen Powder in the Treatment of Diarrhea Based on Network Pharmacology and Molecular Docking

目的利用网络药理学和分子对接研究六神散治疗腹泻的活性成分及作用机制。方法利用TCMSP数据库筛选出六神散各中药有效成分,并校正为基因名称。与腹泻相关靶点取交集,进行蛋白相互作用(PPI)分析,得到核心靶点后导入DAVID数据库进行基因本体(GO)及京都基因组百科全书(KEGG)分析。结果六神散治疗腹泻关键作用靶点为AKT1、TP53、HSP90AA1、JUN、RELA等,发挥作用的主要成分有槲皮素、β-胡萝卜素、薯蓣皂素、柚皮素、甘草查尔酮A。GO及KEGG分析显示,六神散药物成分通过辅助性T细胞17(Th17)细胞分化、磷脂酰肌醇3-激酶(PI3K)/蛋白激酶B(Akt)、白细胞介素-17(IL-17)等多条通路治疗腹泻。结论六神散通过调控多靶点、多途径治疗腹泻。

Objective To study the active components and mechanism of Liushen powder in the treatment of diarrhea by network phar⁃macology and molecular docking.Methods The TCMSP database was used to screen out the active ingredients of Liushen powder herbs and correct them as gene names.Intersections with diarrhea-related targets were obtained,and protein interaction analysis was performed to obtain core targets,which were then imported into the DAVID database for GO and KEGG analysis.Results The key tar⁃gets of Liushen powder in the treatment of diarrhea were AKT1,TP53,HSP90AA1,JUN,RELA,etc.The main active ingredients were quercetin,β-carotene,diosgenin,naringenin,and licorice chalcone A.GO and KEGG analysis showed that the drug components of Liushen powder can treat diarrhea through Th17 cell differentiation,PI3K/Akt,IL-17 and other pathways.Conclusion Liushen pow⁃der i can treat by regulating multiple targets and multiple ways.