基于网络药理学与分子对接探讨紫苏预防心血管疾病的作用机制
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R285

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云南省科技厅科技计划项目(202205AC160081)


Discussion on the Mechanism of Perilla frutescens Preventing Cardiovascular Disease Based on Network Pharmacology and Molecular Docking
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    摘要:

    目的:从网络药理学探讨中药紫苏预防心血管疾病的作用机制。方法:运用网络药理学的研究方 法,通过中药系统药理学与数据库分析平台(TCMSP)、GeneCards 数据库和OMIM 数据库初步筛选紫苏及心 血管疾病作用靶点;用Venny 2.1 制作韦恩图得到紫苏与心血管疾病交集靶点作为研究对象;通过STRING 数 据库构建交集靶点间的蛋白互作网络,获得核心作用靶点,并利用Cytoscape 3.8.2 软件绘制可视化图;运用微 生信在线平台对交集靶点进行GO 功能富集分析和KEGG 通路富集分析;利用AutoDock Tools 软件对活性成分 和关键靶点进行分子对接,并用Pymol 软件进行可视化分析。结果:共筛选得到紫苏有效成分41 种及其作 用靶点94 个,心血管疾病相关靶点15 138 个,交集靶点89 个。GO 富集分析得到936 个生物过程(BP) 条 目,59 个细胞组成(CC) 条目,85 个分子功能(MF) 条目。KEGG 富集分析得到144 条与心血管疾病显著相 关的通路。结论:紫苏治疗心血管疾病的作用机制可能是通过芹黄素、β-胡萝卜素、木犀草素、β-谷甾醇作 用于CCND1、CASP3、CTNNB1、MYC、HIF1A、VEGFA、FOS、MDM2 和CASP8 蛋白调控癌症及PI3K-Akt 等生物学通路发挥治疗作用。

    Abstract:

    Abstract:Objective:To explore the mechanism of Chinese medicine Perilla frutescens in preventing cardiovascular diseases from the perspective of network pharmacology. Methods: Using the research method of network pharmacology,the target of Perilla frutescens and cardiovascular diseases were initially screened through the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP), GeneCards database and OMIM database. Venny 2.1 was used to produce the Venn map to obtain the intersection targets of Perilla frutescens and cardiovascular disease as the research object. The protein-protein interaction (PPI) network between the intersection targets was constructed through STRING database to obtain the core action targets,and the visualization diagram was drawn using Cytascape 3.8.2 software. Carry out GO function enrichment analysis and KEGG pathway enrichment analysis on the intersection target by using the Bioinformatics online platform. AutoDock Tools software was used for molecular docking of active components and key targets,and Pymol software was used for visual analysis. Results:A total of 41 kinds of effective components of Perilla frutescens and 94 targets of action,15 138 targets related to cardiovascular diseases and 89 intersection targets were screened. The GO enrichment analysis obtained 936 biological process (BP) entries , 59 cell composition (CC) entries,and 85 molecular function (MF) entries. KEGG enrichment analysis obtained 144 pathways significantly related to cardiovascular disease. Conclusion:The mechanism of Perilla frutescens in treating cardiovascular diseases may be through apigenin,β- Carotene,luteolin,β-Sitosterol acts onproteins CCND1,CASP3,CTNNB1, MYC,HIF1A,VEGFA,FOS,MDM2 and CASP8 to regulate biological pathways such as cancer and PI3KAkt to play a therapeutic role.

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李旻玥,蒋朝芬,钟匀,苏正伟,李兴玉.基于网络药理学与分子对接探讨紫苏预防心血管疾病的作用机制[J].新中医,2023,55(9):20-27

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  • 在线发布日期: 2023-05-24
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