文献类型：期刊文献

中文题名：运用网络药理学及分子对接方法探讨化浊胶囊治疗非酒精性脂肪肝及改善胰岛素抵抗的机制

英文题名：Based on Network and Molecular Docking,to Explore the Molecular Mechanism of Huazhuo Capsule(化浊胶囊)in the Treatment of Non-alcoholic Fatty Liver to Improve Insulin Resistance

作者：岳映东[1];杨维杰[2];康学东[2];吴佳懿[3];任伯达[1]

第一作者：岳映东

机构：[1]甘肃中医药大学,甘肃兰州730000;[2]甘肃中医药大学附属医院,甘肃兰州730000;[3]敦煌市中医院,甘肃敦煌736200

第一机构：甘肃中医药大学

年份：2022

卷号：36

期号：2

起止页码：1

中文期刊名：实用中医内科杂志

外文期刊名：Journal of Practical Traditional Chinese Internal Medicine

基金：国家自然科学基金(82160884);甘肃中医药大学研究生创新基金(2020CX18)。

语种：中文

中文关键词：网络药理学;化浊胶囊;非酒精性脂肪肝;胰岛素抵抗;分子对接;信号通路

外文关键词：network pharmacology;Huazhuo capsule(化浊胶囊);NAFLD;insulin resistance;molecular docking;signal pathway

摘要：目的运用网络药理学及分子对接方法探讨化浊胶囊治疗非酒精性脂肪肝(non-alcoholic fatty liver disease,NAFLD)以改善胰岛素抵抗的潜在分子机制。方法通过TCMSP、Uniprot数据库筛选出化浊胶囊的活性成分及靶点基因,利用GeneCards数据库、CTD数据库及OMIM数据库获取NAFLD的相关基因,并与药物靶点相互映射得到共同的靶点,使用String网站及Cytoscape软件构建蛋白互作网络;运用R语言对关键靶点进行基因本体(GO)富集分析和京都基因与基因组百科全书(KEGG)通路富集分析,然后使用Cytoscape软件构建“药物-靶点-通路”网络并进网络拓扑分析,最后利用Autodock Tools工具进行模拟分子对接验证。结果预测得到化浊胶囊治疗非酒精性脂肪肝的有效成分31个及共作靶点43个。GO富集分析涉及影响类固醇结合、核受体活性、DNA转录因子活性和类固醇激素受体活性等生物过程;KEGG富集主要涉及流体剪切应力与动脉粥样硬化、AGE-RAGE信号通路、TNF信号通路、NF-KB信号通路、非酒精性脂肪肝病(NAFLD)、胰岛素抵抗等信号通路,分子对接结果显示4个有效成分与4个靶蛋白对接良好。结论化浊胶囊中的可通过PPAR信号通路、TNF信号通路、PI3K/AKt信号通路等通路发挥治疗NAFLD以改善胰岛素抵抗的作用。
Objective To explore the potential molecular mechanism of Huazhuo capsule(化浊胶囊)in the treatment of non-alcoholic fatty liver disease(NAFLD)to improve insulin resistance by network pharmacology and molecular docking.Method?s tcmsp and UniProt databases were used to screen the active ingredients and target genes of Huazhuo capsule The related genes of NAFLD were obtained from the database and mapped with drug targets to obtain common targets.The protein interaction net?work was constructed by using string website and Cytoscape software.The key targets were analyzed by using R language for gene ontology(go)enrichment analysis and Kyoto Encyclopedia of genes and genomes(KEGG)pathway enrichment analysis,and then the"drug target pathway"was constructed by using Cytoscape software Network topology analysis is carried out at the same time.Finally,the simulation molecular docking is verified by using autodock tools.Results 31 effective components and 43 tar?gets of Huazhuo capsule were predicted.Go enrichment analysis involved in biological processes such as steroid binding,nuclear receptor activity,DNA transcription factor activity and steroid hormone receptor activity;KEGG enrichment mainly involved in fluid shear stress and atherosclerosis,AGE-RAGE signaling pathway,TNF signaling pathway,NF-kB signaling pathway,non?alcoholic fatty liver disease(NAFLD),insulin resistance and other signaling pathways The results showed that the four active components had good docking with the four target proteins.Conclusion Huazhuo capsule can improve insulin resistance through PPAR signaling pathway,TNF signaling pathway and PI3K/Akt signaling pathway.