A multi-stage virtual screening of FDA-approved drugs reveals potential inhibitors of SARS-CoV-2 main protease
Yasmine M. Mandour, Darius P. Zlotos, M. Alaraby Salem
Abstract
inhibitors that have been identified using other virtual screening protocols and may be repurposed for COVID-19 treatment.
Topics & Concepts
Virtual screeningDrug repositioningPharmacophoreProteaseComputational biologyDrugDrug discoveryCoronavirusChemistrySevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Docking (animal)Coronavirus disease 2019 (COVID-19)PharmacologyMedicineBiologyBiochemistryInfectious disease (medical specialty)EnzymePathologyNursingDiseaseComputational Drug Discovery MethodsSARS-CoV-2 and COVID-19 ResearchSynthesis and biological activity