基于网络药理学分析槲皮素治疗细菌性肠炎的潜在机制  

Potential Mechanism of Quercetin in Treating Bacterial Enteritis Based on Network Pharmacology

作　　者：张年洁 孟令滢 甄明哲 王巧玉 王新[1] Zhang Nianjie;Meng Lingying;Zhen Mingzhe;Wang Qiaoyu;Wang Xin(College of Animal Science and Technology,Heilongjiang Bayi Agricultural University,Daqing166319)

机构地区：[1]黑龙江八一农垦大学动物科技学院,大庆166319

出　　处：《黑龙江八一农垦大学学报》2024年第6期43-51,共9页journal of heilongjiang bayi agricultural university

基　　金：研究生创新科研项目(YJSCX2022-Y27)。

摘　　要：基于网络药理学和分子对接技术,探讨槲皮素治疗细菌性肠炎的潜在作用机制。通过检索TCMSP、SwissTarget数据库获取槲皮素的作用靶点;使用GeneCard数据库筛选细菌性肠炎的相关靶点;比对槲皮素与细菌性肠炎靶点,取交集获得槲皮素治疗细菌性肠炎的潜在靶点;利用STRING数据库对靶点进行蛋白互作网络分析,采用Cytoscape3.7.2软件构建相关蛋白互作网络,并进行可视化分析筛选出关键节点;利用Metascape数据库进行GO功能富集和KEGG信号通路富集分析;最后通过AutoDock软件对槲皮素与靶基因进行分子对接验证。结果表明:获得槲皮素216个靶点,细菌性肠炎4103个靶点,共有靶点156个。PPI网络涉及149个节点,1078条相互作用线,可视化结果显示蛋白互作频次较高的分别是TP53、AKT1、JUN、HSP90AA1、SRC等。GO功能富集分析共得到2157条差异显著条目(P<0.01),KEGG通路富集分析得到201条差异显著条目(P<0.01),主要涉及PI3K-Akt信号通路、AGE-RAGE信号通路、TNF信号通路、IL-17信号通路等。分子对接结果显示,槲皮素与关键靶点AKT1、IL-6、MAPK1、RELA具有较好的结合活性。综上所述,通过网络药理学和分子对接的方法成功找到了槲皮素治疗细菌性肠炎的潜在靶点,预测了其发挥药理作用的关键信号通路。To explore the potential mechanism of quercetin in the treatment of bacterial enteritis based on network pharmacology and molecular docking techniques,the target of quercetin was obtained by searching TCMSP and SwissTarget databases.The GeneCard database was used to screen the related targets of bacterial enteritis.By comparing the targets of quercetin and bacterial enteritis,the potential targets of quercetin in the treatment of bacterial enteritis were obtained.STRING database was used for protein interaction network analysis,and Cytoscape3.7.2 software was used to construct related protein interaction network,and key nodes were screened for visual analysis.GO function enrichment and KEGG signal path enrichment analysis were conducted using Metascape database.Finally,the molecular docking between quercetin and target gene was verified by AutoDock software.The results showed that 216 quercetin targets and 4103 bacterial enteritis targets were obtained,with a total of 156 targets.The PPI network involved 149 nodes and 1078 interaction lines,and the visualization results showed that the protein interaction frequency was higher in TP53,AKT1,JUN,HSP90AA1,SRC,etc.A total of 2157 items with significant differences were obtained by GO functional enrichment analysis(P<0.01),and 201 items with significant differences were obtained by KEGG pathway enrichment analysis(P<0.01),mainly involving PI3K-Akt signaling pathway,AGE-RAGE signaling pathway,TNF signaling pathway,IL-17 signaling pathway,etc.Molecular docking results showed that quercetin had good binding activity with AKT1,IL-6,MAPK1 and RELA.By means of network pharmacology and molecular docking,the potential target of quercetin in the treatment of bacterial enteritis was successfully identified,and the key pathway of its pharmacological action was predicted.

关 键 词：槲皮素 细菌性肠炎 网络药理学 分子对接 

分 类 号：S852.651[农业科学—基础兽医学]