QSAR modeling and pharmacoinformatics of SARS coronavirus 3C-like protease inhibitors
Ahmed Adebayo Ishola, Oluwaseye Adedirin, Tanuja Joshi, Subhash Chandra
Topics & Concepts
Quantitative structure–activity relationshipLipinski's rule of fiveADMEChemistryCoronavirusDocking (animal)chEMBLStereochemistryComputational biologyProteaseCoronavirus disease 2019 (COVID-19)EnzymeBiochemistryIn vitroBiologyDrug discoveryIn silicoMedicineGeneInfectious disease (medical specialty)PathologyDiseaseNursingComputational Drug Discovery MethodsSynthesis and biological activitythermodynamics and calorimetric analyses