基于网络药理学和分子对接探究木犀草素保护鸡氨气暴露的作用机制  

Mechanism of luteolin intervention in pyroptosis after chicken exposure to ammonia based on network pharmacology and molecular docking

作　　者：刘佳豪 雷江英 沈凡钰 何闳翃 陈德纯 LIU Jia-hao;LEI Jiang-ying;SHEN Fan-yu;HE Hong-hong;CHEN De-chun(School of Animal and Veterinary Sciences,Southwest Minzu University,Chengdu 610041,China)

机构地区：[1]西南民族大学畜牧兽医学院,四川成都610041

出　　处：《西南民族大学学报（自然科学版）》2023年第3期289-296,共8页Journal of Southwest Minzu University(Natural Science Edition)

基　　金：国家自然科学基金(32202871);四川省自然科学基金项目(22NSFSC3161);中央高校基本科研业务费专项资金优秀学生培养工程项目(2023NYXXS125)。

摘　　要：借助网络药理学和分子对接技术探讨木犀草素干预鸡氨气暴露后细胞焦亡的机制.先使用反向药效团匹配方法(PharmMapper)和中药系统药理学分析平台(TCMSP)预测木犀草素相关靶点;采用GeneCards数据库、OMIM数据库搜集氨气中毒疾病的相关靶点,并通过比对已知文献对其进行整理与筛选;其次通过利用Cytoscape 3.82软件,搭建“木犀草素-氨气中毒-靶点”网络图;在STRING数据库中对所得靶点进行检索,以得到各个靶点互作的网络关系数据,再使用Cytoscape 3.82工具绘制PPI图;然后靶点被上传到DAVID数据库中完成富集分析;最后木犀草素和核心的靶蛋白被上传到Schr9dinger Maestro软件中进行了分子对接.结果显示,筛选得到共62个相关靶点,其中核心靶点有ALB、TP53、CASP3、JUN、VEGFA、NFκBIA等;这些靶点主要涉及相同蛋白结合、酶结合等分子功能及白细胞介素-17信号通路从而发挥木犀草素干预氨气暴露后细胞焦亡的作用.结果表明,木犀草素可以通过多靶点、多途径干预鸡氨气暴露后细胞焦亡的发生.The study was designed to investigate the mechanism of luteolin intervention in pyroptosis after chicken exposure to ammonia by network pharmacology and molecular docking techniques.Firstly,the therapeutic targets of luteolin were selected by PharmMapper data base and TCMSP data base,and the disease targets were selected from Genecards data base and OMIM data base.The luteolin-ammonia poisoning-targets network was built with Cytoscape software and network analysis was carried out.String database was used for protein-protein interaction network(PPI) analysis.GO and KEGG enrichment analysis was carried out by DAVID data base.Results:A total of 62 overlapping potential targets were screened,among which the core targets were ALB,TP53,CASP3,JUN,VEGFA,and NFκBIA ect.,and these overlapping targets played a role in the prevention and treatment of ammonia poisoning mainly through identical protein binding molecular function,enzyme binding molecular function and IL-17 signaling pathway.Finally,the docking verification was performed on luteolin and core targets by using Schr9dinger Maestro software.Luteolin can interfere with the occurrence of pyroptosis after chicken ammonia exposure through multiple targets and multiple pathways.

关 键 词：氨中毒 网络药理学 木犀草素 分子对接 细胞焦亡 

分 类 号：S852.3[农业科学—基础兽医学]