Discovery of potential SARS-CoV 3CL protease inhibitors from approved antiviral drugs using: virtual screening, molecular docking, pharmacophore mapping evaluation and dynamics simulation
Ismail Daoud, Fouzia Mesli, Nadjib Melkemi, Saïd Ghalem, Toufik Salah
Abstract
experimental study should make it possible to verify the theoretical results obtained in silico.Communicated by Ramaswamy H. Sarma.
Topics & Concepts
ADMEDocking (animal)In silicoPharmacophorePharmacologyChloroquineVirtual screeningDrugDrug discoveryIn vivoChemistryPharmacokineticsComputational biologyVirologyBiologyMedicineBiochemistryImmunologyMalariaGeneticsNursingGeneComputational Drug Discovery MethodsSynthesis and biological activitySARS-CoV-2 and COVID-19 Research