基于网络药理学和分子对接技术探索降脂通脉胶囊抗动脉粥样硬化作用机制

Exploration of Mechanism of Jiangzhi Tongmai Capsules in Anti-Atherosclerosis Based on Network Pharmacology and Molecular Docking

摘要: 目的：运用网络药理学方法探讨降脂通脉胶囊抗动脉粥样硬化(atherosclerosis, AS)的潜在分子机制，为后续开展实验研究提供生物信息学基础。方法：通过TCMSP、HERB、CTD数据库及已有文献查找降脂通脉胶囊药物活性成分与靶点。利用Cytoscape软件构建“中药–有效成分–靶点”网络。通过Gene Cards数据库查找动脉粥样硬化相关靶点。利用Venny 2.1获取重合靶点。重合靶点上传于String 11.0平台进行蛋白质相互作用分析并及可视化呈现，于OmicShare云平台进行GO功能和KEGG通路富集分析。结果：共筛选出31个活性成分，活性成分作用靶点共248个。活性成分作用靶点与AS靶点共重合186个。GO富集分析得到生物过程6249个，分子功能967个。KEGG通路分析结果显示靶点富集于261条通路上，其中包含PI3K-Akt信号通路、流体剪切应力与动脉粥样硬化等AS关键的通路。结论：降脂通脉胶囊包含多个活性成分，其可通过多靶点、多通路的方式抗动脉粥样硬化，体现出中医药抗AS的多靶优势。

Abstract: Objective: This study was to explore the potential molecular mechanism of Jiangzhi Tongmai Cap-sules anti-atherosclerosis (AS) by using network pharmacology, providing a bioinformatics basis for subsequent experimental research. Methods: The active ingredients and targets of Jiangzhi Tongmai capsules were collected through TCMSP, HERB, CTD databases and literatures. Cytoscape software was used to construct a “traditional Chinese medicine-active ingredient-target” network. The atherosclerosis-related genes were collected through the Gene Cards database. Venny 2.1 was used to obtain the overlapping targets. The overlapping targets were uploaded on the String 11.0 platform for protein-protein interaction analysis and graphical visualization. The GO function and KEGG pathway enrichment analysis was performed on the OmicShare platform. Results: A total of 31 active ingredients were screened, and 248 corresponding targets were obtained. A total of 186 targets were overlapped between the targets for active ingredient and AS-related genes. GO enrich-ment analysis obtained 6249 biological processes and 967 molecular functions. The results of KEGG pathway analysis showed that the targets were enriched in 261 pathways, including PI3K-Akt sig-naling pathway, fluid shear stress and atherosclerosis. Conclusion: Jiangzhi Tongmai Capsule con-tains multiple active ingredients, which can resist atherosclerosis through multiple targets and pathways, reflecting the multi target advantage of traditional Chinese medicine in anti-AS.