Computational discovery of small drug-like compounds as potential inhibitors of SARS-CoV-2 main protease
Alexander M. Andrianov, Yuri V. Kornoushenko, Anna D. Karpenko, Ivan P. Bosko, Alexander V. Tuzikov
Abstract
.Communicated by Ramaswamy H. Sarma.
Topics & Concepts
ChemistryVirtual screeningDocking (animal)Drug discoveryIn silicoActive siteSmall moleculeDissociation constantBinding siteProteaseStereochemistryPharmacophoreLigand (biochemistry)Computational biologyEnzymeBiochemistryBiologyMedicineNursingReceptorGeneComputational Drug Discovery MethodsSynthesis and biological activityProtein Structure and Dynamics