Virtual screening of approved clinic drugs with main protease (3CL<sup>pro</sup>) reveals potential inhibitory effects on SARS-CoV-2
Qiang Wang, Ying Zhao, Xiaojia Chen, An Hong
Abstract
in the current clinical drug library, and these drugs can be further tested or chemically modified for the treatment of COVID-19.Communicated by Ramaswamy H. Sarma.
Topics & Concepts
Virtual screeningPharmacologyCoronavirusSaquinavirProteaseSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Coronavirus disease 2019 (COVID-19)DrugIntracellularChemistryVirologyMedicineDrug discoveryHuman immunodeficiency virus (HIV)EnzymeBiochemistryAntiretroviral therapyViral loadInternal medicineInfectious disease (medical specialty)DiseaseComputational Drug Discovery MethodsSARS-CoV-2 and COVID-19 Researchthermodynamics and calorimetric analyses