Repurposing the antibacterial drugs for inhibition of SARS-CoV2-PLpro using molecular docking, MD simulation and binding energy calculation
R. B. Patel, Jignesh Prajapati, Priyashi Rao, Rakesh Rawal, Meenu Saraf, Dweipayan Goswami
Topics & Concepts
Docking (animal)ISG15ChemistryAmino acidAromatic amino acidsVirtual screeningBiochemistryStereochemistryDrug discoveryUbiquitinGeneNursingMedicineComputational Drug Discovery MethodsSynthesis and biological activitySARS-CoV-2 and COVID-19 Research