阿魏调控细胞自噬治疗炎症性肠病的网络药理学分析  

Treatment of inflammatory bowel disease by Ferula asafoetida regulated cell autophagy with network pharmacology

作　　者：王焱 马飞扬 雷锐娇 余璐 董静茹 张丽[1] 郭新勇[2] WANG Yan;MA Fei-yang;LEI Rui-jiao;YU Lu;DONG Jing-ru;ZHANG Li;GUO Xin-yong

机构地区：[1]石河子大学医学院,新疆石河子832061 [2]石河子大学生命科学学院,新疆石河子832003

出　　处：《饲料研究》2023年第18期50-55,共6页Feed Research

基　　金：国家自然科学基金地区基金项目(项目编号:32160071);石河子大学高层次人才科研启动项目(项目编号:RCZK202132);国家级大学生创新创业训练项目(项目编号:202210759017)。

摘　　要：文章旨在通过网络药理学分析和分子对接验证,探讨阿魏调控细胞自噬治疗炎症性肠病(IBD)的作用机制。从文献中检索并筛选了阿魏的潜在活性成分,通过数据库收集其潜在治疗靶点以及与细胞自噬、IBD相关的靶点。重叠后收集阿魏调控细胞自噬治疗IBD的靶点,通过String网络平台和Cytoscape软件进行蛋白-蛋白相互作用(PPI)网络分析。使用R软件的ClusterProfiler包进一步对交集靶点进行了GO和KEGG富集分析,并根据结果构建“成分-靶点-通路”网络。最后利用分子对接的方法对阿魏主要活性成分和核心靶点进行分析和对接验证。结果显示,根据文献检索并筛选得到阿魏的8个潜在活性成分,Swiss Target Prediction数据库为8个潜在活性成分提供了344个可能的靶点,与细胞自噬靶点及IBD靶点重叠后得到43个交集靶点。通过“成分-靶点-通路”网络图鉴定出主要活性成分为伞形花素、阿魏酸、橙花叔醇,核心靶点为PIK3CA、RELA、NFKBI和BCL2等。KEGG通路富集分析表明,阿魏治疗IBD与PI3K/AKT信号通路及细胞凋亡等自噬相关通路有关,还可能与黏着斑连接通路有关。分子对接方法证实了阿魏主要活性成分与其在IBD中的核心靶点具有较高的亲和力。研究表明,基于数据挖掘的网络药理学方法和分子对接验证,揭示了阿魏调控细胞自噬防治IBD的有效成分及潜在分子机制,可根据预测出的PI3K/AKT信号通路及其相关细胞自噬调节,为开发阿魏作为绿色环保型饲料添加剂或药物调控IBD提供参考。The aim of the study was to explore the mechanism of Ferula asafoetida regulating autophagy in the treatment of IBD through network pharmacological analysis and molecular docking verification.The potential active components of Ferula asafoetida were retrieved and screened from the literature,and their potential therapeutic targets as well as targets related to cell autophagy,IBD were collected through a database.After overlapping,targets of Ferula asafoetida regulated cell autophagy for IBD treatment were collected,and then PPI network analysis was performed by string web platform and Cytoscape software.In addition,GO and KEGG enrichment analyses of intersection targets were further performed using the clusterprofiler package in R software,and a'compound-target-pathway'network was constructed according to the results.Finally,the main active compounds and core targets of Ferula asafoetida were analyzed and docking validated by molecular docking.The results showed that according to the literature search and screening,eight potential active compounds of Ferula asafoetida were obtained,Swiss Target Prediction database provided 344 possible targets for eight potential active compounds,and after overlapping with cell autophagy targets and IBD targets,43 intersection targets were obtained.The main active compounds were identified as Umbelliprenin,ferulic acid,nerolidol by'compoundtarget-pathway'network diagram,and the core targets were PIK3CA、RELA、NFKBI、BCL2.KEGG pathway enrichment analysis showed that Ferula asafoetida treatment of IBD was associated with PI3K/Akt signaling pathway and autophagy related pathways including apoptosis,but also focal adhesion junction pathways.Molecular docking method confirmed that the main active compounds of Ferula asafoetida possessed high affinity with its core targets in IBD.The study indicates the network pharmacology method and molecular docking validation based on data mining have revealed the effective components and potential molecular mechanisms of Ferula asafoetida in re

关 键 词：阿魏 炎症性肠病 细胞自噬 网络药理学 分子对接 

分 类 号：S816.7[农业科学—饲料科学]