Discovery of antiviral SARS-CoV-2 main protease inhibitors by structure-guided hit-to-lead optimization of carmofur
Koon Mook Kang, Yejin Jang, Sang Soo Lee, Mi Sun Jin, Chang‐Duk Jun, Meehyein Kim, Yong‐Chul Kim
Topics & Concepts
ChemistryProteaseIn silicoDocking (animal)IC50Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Binding siteStereochemistryEnzymeCoronavirus disease 2019 (COVID-19)BiochemistryIn vitroInfectious disease (medical specialty)MedicineNursingGeneDiseasePathologyComputational Drug Discovery MethodsSynthesis and biological activitySARS-CoV-2 and COVID-19 Research