文献类型：期刊文献

中文题名：基于网络药理学和分子对接探讨虫茶中活性成分调控糖尿病的作用机制

英文题名：The mechanism of the active ingredients in insect tea to regulate diabetes mellitus based on network pharmacology and molecular docking

作者：姚聂尘轩 余友媛 许存宾

第一作者：姚聂尘轩

机构：[1]贵州理工学院食品药品制造工程学院,贵阳550025

第一机构：贵州理工学院食品药品制造工程学院

年份：2025

卷号：38

期号：2

起止页码：110-120

中文期刊名：数理医药学杂志

外文期刊名：Journal of Mathematical Medicine

语种：中文

中文关键词：虫茶;糖尿病;网络药理学;分子对接;作用机制

外文关键词：Insect tea;Diabetes mellitus;Network pharmacology;Molecular docking;Mechanism

摘要：目的基于网络药理学和分子对接探讨四种虫茶在调控糖尿病方面的活性成分、核心靶点、关键通路和分子机制。方法查阅相关文献搜索化香虫茶、三叶虫茶、老鹰茶、苦丁虫茶四类虫茶的活性成分,通过SwissADME平台对活性成分进行筛选,运用SwissTargetPrediction数据库对虫茶中活性化合物靶点进行预测。构建成分-疾病靶点韦恩图,通过Cytoscape 3.10.2软件绘制虫茶-活性成分-靶点-疾病网络图,通过STRING 12.0数据库进行蛋白质互作(protein-protein interaction,PPI)网络图绘制,运用DAVID数据库和微生信平台进行富集分析图和通路图绘制,最后在PyMol软件中展示分子对接结果。结果得到四类虫茶的有效活性成分32种、成分对应靶点576个。糖尿病疾病靶点共2110个,交集靶点168个。虫茶的作用机制可能与AKT1、EGFR和SRC等多种核心靶点有关,基因本体(Gene Ontology,GO)富集分析显示,虫茶调控糖尿病参与的生物过程、细胞组成、分子功能主要有基因表达的负调控、对异生物刺激的响应、RNA聚合酶II对转录的正向调控、酶结合、相同蛋白结合等;京都基因和基因组百科全书(Kyoto Encyclopedia of Genes and Genomes,KEGG)信号通路显示,虫茶主要涉及脂质、动脉粥样硬化、雌激素信号通路和内分泌抵抗等;分子对接结果显示,虫茶中的黄酮类化合物木樨草素和黄芩素与关键靶点EGFR、SRC有较稳定的构象。结论虫茶可以通过多靶点、多通路的机制调控糖尿病,这为虫茶的开发利用提供了理论依据。
Objective To explore the active components,core targets,key pathways,and molecular mechanisms of four types of insect tea in regulating diabetes based on network pharmacology and molecular docking.Methods The active components of four types of insect tea(Huaxiang insect tea,trilobite insect tea,eagle tea,and Kuding insect tea)were searched through relevant literature.The SwissADME platform was used to screen these active components,and the SwissTargetPrediction database was utilized to predict the targets of the active compounds in insect tea.A component-disease target Venn diagram was constructed,and the insect tea-active component-target-disease network diagram was constructed using Cytoscape 3.10.2 software.The STRING 12.0 database was used to generate a protein-protein interaction(PPI)network diagram,while the DAVID database and the Microbioinformatics platform were employed to draw enrichment analysis charts and pathway diagrams.Finally,molecular docking results were visualized using PyMol software.Results A total of 32 active ingredients and 576 corresponding targets were identified in four types of insect tea.There were 2110 diabetes disease targets,with 168 intersecting targets.The mechanism of insect tea may be related to multiple core targets,such as AKT1,EGFR,and SRC.Gene Ontology(GO)enrichment analysis showed that insect tea regulated diabetes by involving biological processes,cellular components,and molecular functions such as negative regulation of gene expression,response to xenobiotic stimulus,positive regulation of transcription by RNA polymerase II,enzyme binding,and homotypic protein binding.The Kyoto Encyclopedia of Genes and Genomes(KEGG)signaling pathways suggested that insect tea mainly involved lipid metabolism,atherosclerosis,estrogen signaling pathways,and endocrine resistance.The results of molecular docking showed that the flavonoids luteolin and baicalein in insect tea formed relatively stable conformations with key targets EGFR and SRC.Conculsion Insect tea can regulate diabetes by multi-target and multi-pathway mechanisms,which provides a theoretical basis for the development and utilization of insect tea.