Interaction of small molecules with the SARS-CoV-2 main protease in silico and in vitro validation of potential lead compounds using an enzyme-linked immunosorbent assay
Eleni Pitsillou, Julia Liang, Chris Karagiannis, Katherine Ververis, Kevion K. Darmawan, Ken Ng, Andrew Hung, Tom C. Karagiannis
Topics & Concepts
HypericinChemistryIn silicoDocking (animal)ProteaseActive siteEnzymeStereochemistrySmall moleculeBiochemistryPharmacologyBiologyMedicineGeneNursingComputational Drug Discovery MethodsSynthesis and biological activitythermodynamics and calorimetric analyses