山西医科大学学报2023，Vol.54Issue(11)：1508-1514,7.DOI:10.13753/j.issn.1007-6611.2023.11.012
基于分子对接技术探究天花粉活性成分与2型糖尿病靶点的相互作用
Interaction between active components of Radix Trichosanthis and targets associated with type 2 diabetes based on molecular docking method
摘要
Abstract
Objective To explore the interaction between active components of Radix Trichosanthis and targets associated with type 2 diabetes(T2DM)by molecular docking method.Methods The active ingredients and the targets of Radix Trichosanthis were retrieved through the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP)and SwissTarget-Prediction databases.The targets of T2DM were obtained in GeneCards and DisGeNET databases,and the intersection targets of T2DM and the active components from Radix Trichosanthis were screened.Then,the intersection targets were analyzed with DAVID database for gene ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG).The protein-protein interaction networks(PPI)of the intersection targets were constructed to analyze the key targets.Finally,the molecular docking was used to verify the relationship between the active ingredients of Radix Trichosanthis and the key targets.Results The active ingredients of Radix Trichosanthis for T2DM were schottenol and spinasterol,and 21 intersection targets were obtained.PPI,GO and KEGG enrichment analysis indicated that Radix Trichosanthis may act on the peroxisome proliferator-activated receptors(PPARs)to regulate the glycolipid metabolism through PPAR signaling pathway and insulin resistance signaling pathway.Molecular docking results showed that schottenol and spinas-terol strongly bound to a key target,peroxisome proliferator-activated receptor gamma(PPARγ).Conclusion The active components of Radix Trichosanthis,schottenol and spinasterol,may improve the insulin resistance by acting on PPARγ,a T2DM target.关键词
2型糖尿病/分子对接/天花粉/菠菜甾醇/仙人掌甾醇/过氧化物酶体增殖物激活受体γKey words
type 2 diabetes mellitus/molecular docking/Radix Trichosanthis/schottenol/spinasterol/peroxisome prolife-rator-activated receptor gamma(PPARγ)分类
医药卫生引用本文复制引用
胡斌,王彬,朱小婵,邓丽娇,胡杨,薛欢,章毅..基于分子对接技术探究天花粉活性成分与2型糖尿病靶点的相互作用[J].山西医科大学学报,2023,54(11):1508-1514,7.基金项目
国家自然科学基金项目(81973378,82073909) （81973378,82073909）
山西省专利转化专项项目(202304016) （202304016）
中央引导地方科技发展资金项目(YDZJSX2022A059) （YDZJSX2022A059）
