Open AccessVirtual screening based on covalent docking and MM-PBSA calculations predict the drugs neratinib, sacubitril, alprostadil, trandolapril, and florbetapir as promising cruzain inhibitors useful against Chagas disease.
Author(s) -
Igor José dos Santos Nascimento,
Lucas Costa,
Thiago M. de Aquino
Publication year - 2021
Publication title -
proceedings of mol2net'21, conference on molecular, biomedical and computational sciences and engineering, 7th ed.
Language(s) - English
Resource type - Conference proceedings
DOI - 10.3390/mol2net-07-11647
Subject(s) - virtual screening , pharmacology , docking (animal) , chagas disease , medicine , chemistry , drug discovery , biochemistry , virology , nursing