摘要
目的 利用网络药理学探讨滋肾丸治疗IGR的作用靶点、信号通路，揭示滋肾丸治疗IGR多靶点、多通路的干预作用机制。方法 借助 TCMSP筛选滋肾丸的有效成分及相应靶点，利用GeneCards 数据库筛选IGR疾病相关靶点。运用 STRING数据库进行蛋白相互作用（protein-protein interaction, PPI）网络分析。通过Cytoscape 构建化合物靶点网络、PPI 网络，利用 Draw VennDiagram 网站绘制韦恩图筛选交集靶点，运用 R 软件对滋肾丸作用靶点进行 GO 功能富集分析及KEGG 通路分析。最终将滋肾丸的效应成分与核心靶点使用分子对接技术运行对接验证。结果 共得滋肾丸51个活性成分，对应145个靶点，包括与IGR相关靶点130个。其中，中心靶点为HSP90AA1、TP53、JUN、MAPK1和ESR1等。通过GO及KEGG 富集分析，筛选出与滋肾丸主要成分相关的信号通路有15条。结论 基于网络药理学分析得出滋肾丸有效化学成分，发现滋肾丸可能通过炎症反应、调节免疫等多靶点、多途径作用于IGR。
关键词： 糖调节受损（IGR）；网络药理学；滋肾丸；药理作用分子作用机制（中药）
Abstract
Objective To explore the targets and signal pathways of Zishen Pill in the treatment of IGR by using network pharmacology, and to reveal the mechanism of intervention of multiple targets and multiple pathways of Zishen Pill in the treatment of IGR. Methods The active ingredients and corresponding targets of Zishen Pill were screened with the help of TCMSP database, and the targets related to IGR disease were screened with GeneCards database. The STRING database was used for protein-protein interaction (PPI) network analysis. By using Cytoscape to build compound target network and PPI network; by using Draw Venn Diagram website to draw a Venn diagram, and using R software to perform gene ontology (GO) functional enrichment analysis and Kyoto encyclopedia of genes and genomes (KEGG). Finally, the effective components of Zishen pills and the core target were used to perform docking verification by using molecular docking technology. Results A total of 51 active ingredients were obtained, with 145 corresponding targets, including 130 targets related to IGR. among which the central targets are HSP90AA1, TP53, JUN, MAPK1 and ESR1, etc. Through GO and KEGG enrichment analysis, all together 15 signal pathways related to the main components of Zishen Pill were screened out. Conclusion Based on the network pharmacological analysis, the effective chemical components of Zishen Pill were found, and it was found that Zishen Pill may act on IGR through multiple targets and multiple pathways such as inflammation and immune regulation.
Key words： Impaired glucose regulation; Network pharmacology; Zishen Pill; Molecular mechanisms of pharmacological action (TCD)
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