天津中医药大学学报2024，Vol.43Issue(12)：1090-1098,9.DOI:10.11656/j.issn.1673-9043.2024.12.07
基于网络药理学与分子对接探究萸精降糖方治疗2型糖尿病的作用机制
Mechanism of Yujing Jiangtang Recipe in treatment of type 2 diabetes mellitus based on network pharmacology and molecular docking
摘要
Abstract
[Objective]To explore the possible mechanism of Yujing Jiangtang Recipe in the treatment of type 2 diabetes mellitus(T2DM)by using network pharmacology and molecular docking technology.[Methods]The TCMSP and BATMAN-TCM databases were used to screen the active ingredients and potential targets of Yujing Jiangtang Recipe.The databases GeneCards,DisGeNET and OMIM were used to obtain T2DM targets and then drug-disease common targets.Protein-Protein Interaction(PPI)network was constructed using database STRING and Cytoscape 3.7.2 software.Gene Ontology(GO)analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analysis.were performed,and the network diagram of"drug-active ingredient-target-pathway"was constructed using Cytoscape 3.7.2 software.Auto Dock Vina 1.1.2 software was used to molecularly dock the core targets in the PPI network diagram with the active ingredients of Yujing Jiangtang Recipe.[Results]Yujing Jiangtang has 88 active ingredients and 377 potential targets in the treatment of T2DM,and 311 intersecting targets were obtained.From the PPI network diagram,TP53 and AKT1 may be the core targets for the treatment of T2DM.The GO and KEGG enrichment analyses of the key targets revealed that GO-enriched BP included wound healing,response to xenobiotic stimuli;CC included membrane rafts,membrane microregions;and MF included DNA-binding transcription factor binding,RNA polymerase Ⅱ-specific DNA-binding transcription factor binding,etc.The KEGG pathway enrichment includes lipid and atherosclerosis pathway,AGE-RAGE signalling pathway,TNF signalling pathway and so on.The molecular docking results showed that quercetin and kaempferol had good binding activities with the core targets TP53 and AKT1.[Conclusion]This study preliminarily investigated the potential mechanism of action of the active ingredients in Yujing Jiangtang Recipe in the treatment of T2DM through the synergistic effect of multiple components,multiple targets and multiple pathways.关键词
萸精降糖方/2型糖尿病/网络药理学/分子对接Key words
Yujing Jiangtang Recipe/type 2 diabetes mellitus/network pharmacology/molecular docking分类
医药卫生引用本文复制引用
周曦冉,农婷,沈璐..基于网络药理学与分子对接探究萸精降糖方治疗2型糖尿病的作用机制[J].天津中医药大学学报,2024,43(12):1090-1098,9.基金项目
陕西省中医药传承创新暨"秦药"开发重点科学研究项目(2021-03-ZZ-007) （2021-03-ZZ-007）
糖脂代谢病教育部重点实验室开放基金项目(GYDKFXM04). （GYDKFXM04）
