Meticulous assessment of natural compounds from NPASS database for identifying analogue of GRL0617, the only known inhibitor for SARS-CoV2 papain-like protease (PLpro) using rigorous computational workflow
Paritosh Parmar, Priyashi Rao, Abhilasha Sharma, Arpit Shukla, Rakesh Rawal, Meenu Saraf, Baldev Patel, Dweipayan Goswami
Topics & Concepts
PolyproteinsNatural productPapainVirtual screeningProteaseMoietyChemistryDrug discoveryStereochemistryComputational biologyCoronavirusBiologyBiochemistryVirologyEnzymeCoronavirus disease 2019 (COVID-19)Infectious disease (medical specialty)MedicineDiseasePathologyComputational Drug Discovery MethodsBiological Stains and PhytochemicalsTannin, Tannase and Anticancer Activities