Open AccessIn silico Drug Repurposing of Anticancer Drug 5-FU and Analogues Against SARS-CoV-2 Main Protease: Molecular Docking, Molecular Dynamics Simulation, Pharmacokinetics and Chemical Reactivity Studies
Author(s) -
Aristote Matondo,
Washington Dendera,
Bienfait Kabuyaya Isamura,
Koto-te-Nyiwa Ngbolua,
Hilaire VS Mambo,
Mayaliwa Muzomwe,
Virima Mudogo
Publication year - 2022
Publication title -
advances and applications in bioinformatics and chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.223
H-Index - 15
ISSN - 1178-6949
DOI - 10.2147/aabc.s366111
Subject(s) - druggability , molecular dynamics , chemistry , docking (animal) , in silico , active site , stereochemistry , pharmacophore , combinatorial chemistry , drug repositioning , drug , computational chemistry , biochemistry , enzyme , pharmacology , biology , medicine , nursing , gene