中国中医药图书情报杂志2024，Vol.48Issue(4)：54-60,7.DOI:10.3969/j.issn.2095-5707.202305130
基于网络药理学和分子对接探讨芪丹饮治疗糖尿病肾病作用机制
Discussion on the Mechanism of Qidan Decoction in the Treatment of Diabetic Nephropathy Based on Network Pharmacology and Molecular Docking
摘要
Abstract
Objective To study the mechanism of Qidan Decoction in the treatment of diabetic nephropathy(DN)using network pharmacology and molecular docking technology.Methods The active components and action targets of Qidan Decoction were screened from TCMSP database,and DN targets were obtained by searching DisGeNET,DurgBank,GeneCards,OMIM and TTD databases.Venny online mapping tool was used to map the two to obtain the intersection target.Cytoscape 3.9.1 was used to draw the network diagram of Qidan Decoction-active component-intersection target-DN.The protein interaction network diagram of intersection target was obtained by STRING platform,and the core target was obtained by topology analysis in Cytoscape.GO enrichment analysis and KEGG pathway enrichment analysis were performed for the core targets based on DAVID database.Finally,AutoDuck Vina and PyMOL software were used for molecular docking verification.Results Totally 125 effective components of Qidan Decoction and 126 targets for the treatment of DN were obtained.The main pathways were cancer pathways,AGE-RAGE,TNF,IL-17 and MAPK signaling pathways.The results of molecular docking showed that the binding energies of quercetin,luteolin,stigmasterol,β-sitosterol,kaempferol,and onononetin with AKT1,TNF,IL6,VEGFA,IL1B and TP53 of the top six with the highest degree were between-9.2 and-6.2 kcal/mol,suggesting that they all had strong binding forces.Conclusion Qidan Decoction may interfere with DN through key components such as quercetin,luteolin and legosterol,acting on core targets such as AKT1,TNF and IL6,involving cancer pathway,AGE-RAGE,TNF,IL17 and MAPK signaling pathways,and plays anti-inflammatory,antioxidant and improving hemorheology roles.关键词
芪丹饮/糖尿病肾病/网络药理学/分子对接/作用机制Key words
Qidan Decoction/diabetic nephropathy/network pharmacology/molecular docking/mechanism分类
医药卫生引用本文复制引用
杨娜,李慧枝,王文英,陈丽兰..基于网络药理学和分子对接探讨芪丹饮治疗糖尿病肾病作用机制[J].中国中医药图书情报杂志,2024,48(4):54-60,7.基金项目
广州市中医药临床核心技术建设项目(2022年) （2022年）
