Mechanistic QSAR modeling derived virtual screening, drug repurposing, ADMET and in-vitro evaluation to identify anticancer lead as lysine-specific demethylase 5a inhibitor
Rahul D. Jawarkar, Magdi E. A. Zaki, Sami A. Al-Hussain, Aamal A. Al-Mutairi, Abdul Samad, Vijay Masand, Vivek Humane, Suraj Mali, Abdullah Yahya Abdullah Alzahrani, Summya Rashid, Gehan M. Elossaily
{"title":"Mechanistic QSAR modeling derived virtual screening, drug repurposing, ADMET and in-vitro evaluation to identify anticancer lead as lysine-specific demethylase 5a inhibitor","authors":"Rahul D. Jawarkar, Magdi E. A. Zaki, Sami A. Al-Hussain, Aamal A. Al-Mutairi, Abdul Samad, Vijay Masand, Vivek Humane, Suraj Mali, Abdullah Yahya Abdullah Alzahrani, Summya Rashid, Gehan M. Elossaily","doi":"10.1080/07391102.2024.2319104","DOIUrl":null,"url":null,"abstract":"A lysine-specific demethylase is an enzyme that selectively eliminates methyl groups from lysine residues. KDM5A, also known as JARID1A or RBP2, belongs to the KDM5 Jumonji histone demethylase subf...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"1 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Biomolecular Structure and Dynamics","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1080/07391102.2024.2319104","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
A lysine-specific demethylase is an enzyme that selectively eliminates methyl groups from lysine residues. KDM5A, also known as JARID1A or RBP2, belongs to the KDM5 Jumonji histone demethylase subf...