Synthesis and Identification of Novel Potential Molecules Against COVID-19 Main Protease Through Structure-Guided Virtual Screening Approach
Youness El Bakri, El Hassane Anouar, Sajjad Ahmad, Amal A. Nassar, Mohamed Labd Taha, Joel T. Mague, Lhoussaine El Ghayati, El Mokhtar Essassi
Topics & Concepts
ProteaseDocking (animal)Virtual screeningIn silicoCoronavirusMolecular dynamicsChemistryComputational biologySevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Active siteSmall moleculeAmino acidBinding siteDrug discoveryCoronavirus disease 2019 (COVID-19)AutoDockCombinatorial chemistryStereochemistryBiochemistryEnzymeBiologyComputational chemistryInfectious disease (medical specialty)MedicinePathologyDiseaseGeneNursingComputational Drug Discovery MethodsSynthesis and biological activitySARS-CoV-2 and COVID-19 Research