STUDY OF THE INHIBITION POTENTIAL OF REMDESIVIR DERIVATIVES ON MPRO OF SARS-COV-2

Aluísio Marques da Fonseca, Antonio Luthierre Gama Cavalcante, Rubson Mateus Matos Carvalho, Jeferson Falcão do Amaral, Regilany Paulo Colares, Emmanuel Silva Marinho, Moises Maia Neto
2020 International journal of research - granthaalayah  
The emergence of the new coronavirus (SARS-COV-2) is known to trigger some common diseases in humans such as pneumonia and diarrhea, the search for appropriate therapy combat COVID-19 has been intense and exhaustive. Motivation/Background: Thus, based on the rational study of drugs, a survey of potential ligands that can inhibit the vital protein in virus replication, the main protease (Mpro), has been carried out worldwide. Method: In this battle, the antiviral Remdesivir, which was created to
more » ... hich was created to fight the Ebola virus, proved, through the molecular anchorage, to be quite effective against its target because it presented affinity energy far superior to its co-crystallized ligand. Results: In this work, a study was carried out with Remdesivir and its derivatives, obtained in a zinc database15, to present a possible alternative, based on its structure-affinity, as potential Inhibitors of SARS-COV-2 MPro, with affinity energy ranging from -6.3 to -8.2 kcal/mol. Conclusions: It was found that both remdesivir and its diastereoisomeric derivatives have an affinity with the main protease (Mpro), responsible for viral replication, with inhibition capacity and possible alternative in its treatment.
doi:10.29121/granthaalayah.v8.i11.2020.2342 fatcat:2kls3wphpbci5nhkarxpoitnrq