Prioritizing potential ACE2 inhibitors in the COVID-19 pandemic: Insights from a molecular mechanics-assisted structure-based virtual screening experiment
Kerem Teralı, Buket Baddal, Hayrettin Ozan Gülcan
Topics & Concepts
Virtual screeningIn silicoCoronavirus disease 2019 (COVID-19)Docking (animal)Computational biologySevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Drug discoveryPharmacologyChemistryAngiotensin-converting enzyme 2DrugBiochemistryBiologyMedicineDiseaseInfectious disease (medical specialty)Internal medicineGeneNursingComputational Drug Discovery MethodsSARS-CoV-2 and COVID-19 ResearchCancer Mechanisms and Therapy