Discovery of novel SARS-CoV-2 inhibitors targeting the main protease Mpro by virtual screenings and hit optimization
Beatrice Mercorelli, Jenny Desantis, Marta Celegato, Alessandro Bazzacco, Lydia Siragusa, Paolo Benedetti, Michela Eleuteri, Federico Croci, Gabriele Cruciani, Laura Goracci, Arianna Loregian
Topics & Concepts
Context (archaeology)ProteaseViral replicationDrug discoverySevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Antiviral drugCoronavirusComputational biologyCoronavirus disease 2019 (COVID-19)VirologyDrug developmentDrugVirusBiologyChemistryPharmacologyEnzymeMedicineBioinformaticsBiochemistryInfectious disease (medical specialty)PaleontologyDiseasePathologyComputational Drug Discovery MethodsSARS-CoV-2 and COVID-19 Researchvaccines and immunoinformatics approaches