基于网络药理学和分子对接探讨乌梅治疗克罗恩病的相关分子机制  

Exploring molecular mechanism of dark plum in the treatment of Crohn's disease based on network pharmacology and molecular docking

作　　者：李丽 李奕菲 李芳赫 王磊 马翠艳 Li Li;Li Yifei;Li Fanghe;Wang Lei;Ma Cuiyan(School of Life Sciences,Beijing University of Chinese Medicine,Beijing 102488;School of Traditional Chinese Medicine,Beijing University of Chinese Medicine,Beijing 102488)

机构地区：[1]北京中医药大学生命科学学院,北京102488 [2]北京中医药大学中医学院,北京102488

出　　处：《现代畜牧兽医》2024年第4期25-29,共5页Modern Journal of Animal Husbandry and Veterinary Medicine

基　　金：新教师启动基金项目(90020361220006)。

摘　　要：试验旨在采用数据挖掘的方法探究乌梅治疗克罗恩病(CD)的靶点及其作用机制。利用TCMSP数据库筛选、查找乌梅中主要活性成分,利用Swiss Target Prediction软件、GeneCards数据库预测乌梅活性成分和CD的对应靶点,使用Cytoscape 3.7.2软件构建蛋白互作(PPI)网络。将关键靶点导入DAVID数据库,进行GO功能分析与KEGG信号通路富集分析,最后使用Autodock软件进行CD关键靶点与乌梅主要成分的分子对接。结果显示:共筛选出26个乌梅具有潜在活性的成分,乌梅与CD有156个共同靶点。通过GO分析获得283个生物学过程,KEGG富集分析结果显示出35条信号通路。分子对接的结果表明,乌梅的活性成分与CD的靶点对接良好。研究表明,乌梅中活性成分可与CD的相关靶点蛋白作用,并呈现出多成分、多靶点、多途径的特点。The aim of this experiment was to explore the target and mechanism of dark plum therapy for CD by using data mining method.TCMSP database was used to screen and search the main active components in dark plum,Swiss Target Prediction software and GeneCards database were used to predict the corresponding target of active components and CD,and the PPI network was constructed using Cytoscape 3.7.2 software.Key targets were imported into the DAVID database for GO function analysis and KEGG signal path enrichment analysis.Finally,Autodock software was used to perform molecular docking between key targets of CD and main components of dark plum.The results showed that a total of 26 potential active components were selected,and there were 156 common targets between the two components.A total of 283 biological processes were obtained by GO analysis,and 35 signaling pathways were identified by KEGG enrichment analysis.The results of molecular docking showed that the active ingredients of dark plum and CD target docking is good.The study showed that the active components of dark plum could interact with the related target proteins of CD,and showed the characteristics of multi-components,multi-targets and multi-pathways.

关 键 词：克罗恩病 乌梅 网络药理学 分子对接 

分 类 号：S859[农业科学—临床兽医学]