基于网络药理学和分子对接探究雷公藤治疗糖尿病肾病的分子机制

Exploring the Molecular Mechanism of Tripterygium Wilfordii in Treatment of Diabetic Nephropathy Based on Network Pharmacology and Molecular Docking Validation

基于网络药理学和分子对接技术,探究了雷公藤治疗糖尿病肾病的作用靶点及分子机制。在雷公藤中筛选得到12种活性成分,对应靶点427个,糖尿病肾病靶点876个,两者交集靶点103个,其中核心靶点为SRC、TP53、EGFR、MAPK1、PIK3CA、JUN。富集通路主要为Rap1 signaling pathway、Insulin resistance、Focal adhesion、TNF signaling pathway等。雷公藤中活性成分与核心靶点结合较好,结合能较低。雷公藤中活性组分作用于SRC、TP53等重要靶点,调控Rap1 signaling pathway、Insulin resistance、TNF signaling pathway等信号通路,通过抗炎、抗氧化等作用治疗糖尿病肾病。

Based on network pharmacology and molecular docking validation,the targets and molecular mechanism of Tripterygium wilfordii in treatment of diabetic nephropathy were inrestigated.12 active components were screened from Tripterygium wilfordii,correlated with 427 targets,and 876 targets were associated with diabetic nephropathy.103 intersection targets were obtained between the compounds and disease targets.The core targets were SRC,TP53,EGFR,MAPK1,PIK3CA and JUN.The main enriched pathways included Rap1 signaling pathway,Insulin resistance,Focal adhesion and TNF signaling pathway.The active components in Tripterygium wilfordii were combined well with the core targets,and the binding energy was low.The active components of Tripterygium wilfordii act on SRC,TP53 and other important targets,regulating Rap1 signaling pathway,Insulin resistance and TNF signaling pathway.Tripterygium wilfordii treats diabetic nephropathy potentially through anti-inflammatory and antioxidant effects.