High-throughput virtual screening of drug databanks for potential inhibitors of SARS-CoV-2 spike glycoprotein
Ibrahim E. Awad, Abd Al‐Aziz A. Abu‐Saleh, Sweta Sharma Saha, Arpita Yadav, Raymond A. Poirier
Abstract
and has potential to act as an interfering compound between viral spike-host ACE2 interactions. Communicated by Ramaswamy H. Sarma.
Topics & Concepts
ADMESilodosinVirtual screeningMolecular dynamicsIn silicoDocking (animal)Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)ChemistryCoronavirus disease 2019 (COVID-19)Protein subunitLigand (biochemistry)Computational biologyBiophysicsPharmacologyDrugMedicineBiologyReceptorBiochemistryComputational chemistryInternal medicineCancerLower urinary tract symptomsDiseaseInfectious disease (medical specialty)NursingGeneProstateComputational Drug Discovery MethodsProtein Structure and DynamicsSARS-CoV-2 and COVID-19 Research