Repurposing of FDA-approved antivirals, antibiotics, anthelmintics, antioxidants, and cell protectives against SARS-CoV-2 papain-like protease
Mahmoud Kandeel, Alaa H. M. Abdelrahman, Kentaro Oh‐hashi, Abdelazim Ibrahim, Katharigatta N. Venugopala, Mohamed A. Morsy, Mahmoud A. A. Ibrahim
Abstract
over 50 ns MD simulations, with binding energy values of -56.6, -40.9, and -37.6 kcal/mol, respectively. Energetic and structural analyses showed phenformin was more stable than quercetin and ritonavir. The list of the drugs provided herein constitutes a primer for clinical application in COVID-19 patients and guidance for further antiviral studies.Communicated by Ramaswamy H. Sarma.
Topics & Concepts
RepurposingPapainCoronavirus disease 2019 (COVID-19)Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)ProteaseDrug repositioningPharmacology2019-20 coronavirus outbreakVirologyMedicineTraditional medicineDrugChemistryBiologyEnzymeBiochemistryInternal medicineEcologyOutbreakInfectious disease (medical specialty)DiseaseSARS-CoV-2 and COVID-19 ResearchViral gastroenteritis research and epidemiologyTransgenic Plants and Applications