Protein degradation: a novel computational approach to design protein degrader probes for main protease of SARS-CoV-2
Muhammed Shaheer, Ravi Singh, M. Elizabeth Sobhia
Abstract
of SARS-CoV-2, and estimate possible linker length. Molecular Dynamic simulation and analysis on generated ternary complexes demonstrated stable interactions that suggested that designed PROTAC has a potential to cause degradation. The superior characteristics rendered by PROTACS led us to propose them as possibly the next-generation antiviral drugs for SARS-CoV-2.
Topics & Concepts
ProteaseProtein degradationSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)CoronavirusCoronavirus disease 2019 (COVID-19)Computational biologyDocking (animal)2019-20 coronavirus outbreakViral replicationVirologyBiologyVirusMedicineCell biologyInfectious disease (medical specialty)DiseaseBiochemistryNursingEnzymeOutbreakPathologyProtein Degradation and InhibitorsPeptidase Inhibition and AnalysisUbiquitin and proteasome pathways