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基于网络药理学研究楤木调控痛风的分子机制
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Abstract:
目的：探讨楤木治疗痛风的潜在活性成分和可能的作用机制。方法：在知网、万方、TCMSP、PubChem、DisGeNET等数据库检索楤木潜在活性成分、靶点以及痛风相关靶点。将交集靶点导入STRING和Cytoscape3.9.1软件中进行分析，并利用Cytohubba插件挖掘楤木治疗痛风的核心基因。应用DAVID数据库进行GO和KEGG富集剖析，利用Auto Dock Tools-1.5.6和PyMOL软件进行分子对接和可视化分析。结果：得到楤木活性成分109个，化合物预测靶点475个，交集靶点33个。拓扑学分析后得到9个治疗痛风的核心靶点。GO和KEGG富集分析显示涉及多个生物过程、细胞组分和分子功能。关键信号通路包含IL-17、Rap1、VEGF和TNF等。分子对接均呈现较好的结合活性。结论：楤木治疗痛风具有“多靶点、多成分、多通路”的特点，为后续进一步实验研究提供了理论基础。
Objective: To explore the potential active ingredients of Aralia chinensis in the treatment of gout and the possible mechanism of action. Methods: The potential active ingredients, targets and gout related targets of Aralia chinensis were searched in knowledge network, Wanfang, TCMSP, PubChem, DisGeNET and other databases. The intersection targets were imported into STRING and Cytoscape3.9.1 software for analysis, and the core genes of Aralia chinensis in the treatment of gout were discovered by Cytohubba plug-in. GO and KEGG enrichment were analyzed using DAVID database, and molecular docking and visual analysis were performed using Auto Dock Tools-1.5.6 and PyMOL software. Results: 109 active components, 475 predicted targets and 33 intersection targets of Aralia chinensis were obtained. After topological analysis, 9 core targets for the treatment of gout were obtained. GO and KEGG enrichment analyses showed that multiple biological processes, cell components and molecular functions were involved. Key signaling pathways include IL-17, Rap1, VEGF and TNF. The molecular docking showed good binding activity. Conclusion: Aralia chinensis has the characteristics of “multi-target, multi-component and multi-pathway” in the treatment of gout, which provides a theoretical basis for further experimental research.
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