Inhibitory potential of repurposed drugs against the SARS-CoV-2 main protease: a computational-aided approach
Adewale Oluwaseun Fadaka, Raphael Taiwo Aruleba, Nicole Remaliah Samantha Sibuyi, Ashwil Klein, Abram M. Madiehe, Mervin Meyer
Abstract
.Communicated by Ramaswamy H. Sarma.
Topics & Concepts
PharmacophoreADMEChemistryDocking (animal)StereochemistryLigand (biochemistry)In silicoLigand efficiencyLopinavirMolecular dynamicsBiochemistryReceptorComputational chemistryCoronavirus disease 2019 (COVID-19)MedicinePathologyDiseaseNursingIn vitroInfectious disease (medical specialty)GeneComputational Drug Discovery MethodsSynthesis and biological activityEnzyme function and inhibition