Open AccessIdentification of 1H-purine-2,6-dione derivative as a potential SARS-CoV-2 main protease inhibitor: molecular docking, dynamic simulations, and energy calculations
Author(s) -
Hossam Nada,
Ahmed Elkamhawy,
Kyeong Lee
Publication year - 2022
Publication title -
peerj
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.927
H-Index - 70
ISSN - 2167-8359
DOI - 10.7717/peerj.14120
Subject(s) - in silico , pharmacophore , virtual screening , adme , computational biology , lipinski's rule of five , drug discovery , docking (animal) , drug , chemistry , biology , pharmacology , bioinformatics , medicine , biochemistry , nursing , gene