基于“分子对接–网络分析”的芭蕉油抗2型糖尿病的作用机制研究
Study on the Mechanism of Action of Bajiaoyou against Type 2 Diabetes Based on “Molecular Docking-Network Analysis”
DOI: 10.12677/TCM.2023.125161, PDF,    科研立项经费支持
作者: 张双腊, 吴红梅：贵州中医药大学药学院，贵州 贵阳；徐 锋*：贵州中医药大学药学院，贵州 贵阳；贵州中医药大学薏苡仁资源与开发研究中心，贵州 贵阳
关键词: 芭蕉油；2型糖尿病；分子对接；网络分析；Bajiaoyou； Type 2 Diabetes； Molecular Docking； Network Analysis
摘要: 目的：通过先分子对接筛选再开展网络分析的模式，探讨芭蕉油抗2型糖尿病的作用机制。方法：通过中药系统药理学数据库与分析平台和文献筛选芭蕉油中潜力成分，经SwissTargetPrediction数据库筛选和AutoDock Vina分子对接获得芭蕉油“成分–靶点”集。经GEO基因芯片数据库结合GeneCards数据库筛选出“2型糖尿病–靶点”集；运用Cytoscape软件构建“成分–靶点–疾病”互作网络；应用R语言程序包对靶点进行GO分析与KEGG分析。结果：筛选得到芭蕉油成分可靠靶点362个，2型糖尿病靶点365个，构建了芭蕉油的“成分–靶点–疾病”网络，分析得到芭蕉油抗2型糖尿病成分9个，核心靶点32个，GO分析发现芭蕉油可通过脂质代谢、信号传导等生物过程影响2型糖尿病，涉及的信号通路主要为PPAR信号通路。结论：芭蕉油抗2型糖尿病的作用是多成分调节脂质代谢、炎症反应和胰岛素抵抗等途径的协同结果。
Abstract: Objective: To explore the mechanism of bajiaoyou against type 2 diabetes by molecular docking screening and network analysis. Methods: The potential components in bajiaoyou were screened by traditional Chinese medicine system pharmacology database and analysis platform and literature. The “component-target” set of bajiaoyou was obtained by SwissTargetPrediction database screening and AutoDock Vina molecular docking. The “type 2 diabetes-target” set was screened by GEO gene chip database combined with GeneCards database. Cytoscape software was used to construct the “component-target-disease” interaction network. GO analysis and KEGG analysis of the targets were performed using the R language packages. Results: A total of 362 reliable targets of bajiaoyou components and 365 targets of type 2 diabetes were screened. The “component-target- disease” network of bajiaoyou was constructed, and 9 anti-type 2 diabetes components and 32 core targets were obtained. GO analysis showed that bajiaoyou could affect type 2 diabetes through biological processes such as lipid metabolism and signal transduction, and the signaling pathway mainly involved was PPAR signaling pathway. Discussion: The anti-type 2 diabetes effect of bajiaoyou is the synergistic result of multiple components regulating lipid metabolism, inflammatory response and insulin resistance.
文章引用：张双腊, 吴红梅, 徐锋. 基于“分子对接–网络分析”的芭蕉油抗2型糖尿病的作用机制研究[J]. 中医学, 2023, 12(5): 1064-1074. https://doi.org/10.12677/TCM.2023.125161

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