Structure-Based Screening to Discover New Inhibitors for Papain-like Proteinase of SARS-CoV-2: An <i>In Silico</i> Study
Mostafa Jamalan, Ebrahim Barzegari, Fathollah Gholami-Borujeni
Abstract
)-1-naphthalen-1-ylethyl]benzamide showed promising affinity for the viral proteinase. All of the identified compounds demonstrated an acceptable pharmacokinetic profile. In conclusion, our findings represent rediscovery of analgesic, anti-inflammatory, antibacterial, or antiviral drugs as promising pharmaceutical candidates against the ongoing coronavirus.
Topics & Concepts
In silicoPapainComputational biologySevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Drug discoveryChemistryVirtual screeningBiologyCoronavirus disease 2019 (COVID-19)BioinformaticsBiochemistryEnzymeMedicineGeneInfectious disease (medical specialty)DiseasePathologyComputational Drug Discovery Methodsvaccines and immunoinformatics approachesSARS-CoV-2 and COVID-19 Research