海南医学院学报2024，Vol.30Issue(1)：39-49,11.DOI:10.13210/j.cnki.jhmu.20230927.001
基于生物信息学与网络药理学分析薯蓣皂苷治疗阿尔茨海默病和新型冠状病毒肺炎的靶点研究
Bioinformatics and network pharmacology identify the therapeutic role and potential targets of diosgenin in Alzheimer disease and COVID-19
摘要
Abstract
Objective:To explore the targets of diosgenin in treatment of Alzheimer′s disease(AD)and Coronavirus Dis-ease 2019(COVID-19)based on bioinformatics,network pharmacology and molecular docking techniques.Methods:Differential expression genes(DEGs)shared by AD and COVID-19 were enriched by bioinformatics.Secondly,key genes in transcription fac-tor(TF)of AD and COVID-19 were found by analysis of regulatory networks,and Cytoscape was used to visualize the networks.Based on this,the DGIdb database was further used to predict the drugs that can treat AD and COVID-19 at the same time,and the Venn diagram analysis was conducted with the drugs related to AD and COVID-19 in the CTD database to determine diosgen-in as a potential drug for the treatment of AD and COVID-19.SEA,SuperPred,SwissTargetPrediction and TCMSP were used to predict the target of diosgenin in the treatment of AD and COVID-19,and the target of diosgenin in the treatment of AD and COVID-19 was determined by Wayne diagram intersection analysis with the differentially expressed genes of AD and COVID-19.Their Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)were analyzed jointly.The Protein Protein Interaction(PPI)network of these drug targets was constructed,and core targets with the highest correlation were screened out.The binding of diosgenin to these core targets was analyzed by molecular docking.Results:Through enrichment and cluster analy-sis,it was found that the biological processes,pathways and diseases enriched by DEGs in AD and COVID-19 were all related to inflammation and immune regulation.These common DEGs and Trust databases were used to construct regulatory networks of AD and COVID-19 TFs.Diosgenin was predicted as a potential drug for the treatment of AD and COVID-19 by network pharma-cology,and 36 targets of diosgenin for the treatment of AD and 27 targets for COVID-19 were revealed.The six core targets with the highest correlation were selected for molecular docking with diosgenin using CytohHubba to calculate the scores.Conclusions:This study reveal for the first time the common TF regulatory network of AD and COVID-19,and predicted and verified diosgen-in as a potential drug for the treatment of AD and COVID-19.The binding of diosgenin to the core pharmacological targets for the treatment of AD and COVID-19 was determined by molecular docking,which provides a theoretical basis for developing a new ap-proach to clinical treatment of AD and COVID-19.关键词
生物信息学/网络药理学/薯蓣皂苷/阿尔茨海默病/新型冠状病毒肺炎Key words
Bioinformatics/Network pharmacology/Diosgenin/Alzheimer's disease/COVID-19分类
医药卫生引用本文复制引用
张华雄,张明惠,李红燕..基于生物信息学与网络药理学分析薯蓣皂苷治疗阿尔茨海默病和新型冠状病毒肺炎的靶点研究[J].海南医学院学报,2024,30(1):39-49,11.基金项目
This study was supported by Research and Development and Industrialization Demonstration of Xinjiang Special Medicinal Materials,Antiinfective Drugs and Disinfection Products-Construction of Xinjiang Special Resource Antiinfective Drug Research and Development Platform(2021A03002-4) 新疆特色药材抗感染药物及消毒产品研发及产业化示范-新疆特色资源抗感染药物研发平台建设(2021A03002-4) （2021A03002-4）
