文献类型：期刊文献

中文题名：基于网络药理学和分子对接探讨党参干预阿尔兹海默症的作用机制

英文题名：Exploration on the Mechanism of Codonopsis pilosula’s Intervention in Alzheimer’s Disease Based on Network Pharmacology And Molecular Docking

作者：韩乐[1];王晶[1];蒙洁[1];陈冬梅[1];康甲超[1];赵盼[1];段永强[2]

第一作者：韩乐

机构：[1]甘肃中医药大学公共卫生学院,甘肃兰州730000;[2]甘肃中医药大学基础医学院,甘肃兰州730000

第一机构：甘肃中医药大学公共卫生学院

年份：2021

卷号：32

期号：7

起止页码：1559

中文期刊名：时珍国医国药

外文期刊名：Lishizhen Medicine and Materia Medica Research

收录：北大核心:【北大核心2020】；CSCD:【CSCD_E2021_2022】；

基金：国家自然科学基金(81760835,82060829);甘肃省高等学校科学研究一般项目(2018A-052)。

语种：中文

中文关键词：党参;阿尔兹海默病;网络药理学;分子对接

外文关键词：Alzheimer’s disease;Codonopsis pilosula;Network pharmacology;Molecular docking

摘要：目的基于网络药理学和分子对接技术探讨党参干预阿尔兹海默症的作用机制。方法通过TCMSP数据库检索党参活性化合物并整理其对应的靶标;通过GeneCards和OMIM数据库检索阿尔兹海默症相关的靶标。党参活性化合物对应靶标与疾病靶标取交集后应用Cytoscape3.6.0软件构建党参活性化合物-AD靶标调控网络;利用STRING数据库构建交集靶标相互作用网络,获取此网络的tsv文件,导入Cytoscape3.6.0软件对网络进行分析,筛选关键靶标和关键化合物;通过DAVID数据库进行GO分析和KEGG分析,预测关键靶标作用机制。利用AutoDock软件将关键化合物与AD关键蛋白受体进行分子对接,对党参干预AD的作用机制作出合理推测。结果筛选得到党参活性化合物10个,对应靶标101个,筛选出关键靶标SLC6A3、MAOB、PLAU、ADH1C、CHRM1、CHRM2、NR3C2、PTGS2、NFKBIA、TYR、MAPK1、IL6等39个,关键化合物7种。GO分析得到GO条目206条,KEGG分析得到KEGG通路77条。分子对接结果显示Luteolin木樨草素与CASP3、CASP9、HMOX1、IL10、IL6、VEGFA、MAPK1、XIAP、JUN、AKT1等都有良好的结合。结论党参的活性成分可能通过调控HMOX1、AKT1、CASP3、CASP9、IL10、IL6、VEGFA、MAPK1、XIAP、JUN等靶标,G蛋白偶联乙酰胆碱受体活性通路,刺激神经交互作用通路等多个途径发挥干预AD的作用。
Objective To explore the mechanism of Codonopsis pilosula’s intervention in Alzheimer’s disease based on network pharmacology and molecular docking techniques.Methods The active compounds of Codonopsis pilosula were retrieved from TCMSP database and their corresponding targets were sorted out.AD-related targets were retrieved from GeneCards and OMIM databases.After the intersection of corresponding targets and disease targets of Codonopsis active compounds was obtained, Cytoscape3.6.0 software was used to construct the Codonopsis active compounds-AD target regulation network.The intersection target interaction network was constructed by using STRING database, the TSV files of the network were obtained, and Cytoscape3.6.0 software was imported to analyze the network, and key targets and compounds were screened.GO analysis and KEGG analysis were performed by DAVID database to predict the mechanism of action of key targets.AutoDock software was used to conduct molecular docking between key compounds and key protein receptors of AD, so as to make reasonable speculation on the mechanism of codonopsis pilotifolia interfering AD.Results 10 active compounds of Codonopsis were screened, corresponding to 101 targets, and 39 key targets SLC6 A3, MAOB, PLAU, ADH1 C, CHRM1, CHRM2, NR3 C2, PTGS2, NFKBIA, TYR, MAPK1, IL6 were screened, including 7 key compounds.GO analysis yielded 206 GO items, and KEGG analysis yielded 77 KEGG pathways.The molecular docking results showed that Luteolin migolatine had good binding to CASP3, CASP9, HMOX1, IL10, IL6, VEGFA, MAPK1, XIAP, JUN, AKT1.Conclusion The active components of Codonopsis may play an intervention role in AD through regulating targets such as HMOX1, AKT1, CASP3, CASP9, IL10, IL6, VEGFA, MAPK1, XIAP, JUN, G protein-coupled acetylcholine receptor activity pathways, and stimulating neural interaction pathways.