EC Number   |
Application |
Reference |
|---|
   3.4.22.B80 | analysis |
development of a dual-color probe for the simultaneous detection of Mpro and PLpro by FRET in vitro and in cells. The probe produces fluorescence from both the Cy3 and Cy5 fluorophores that are cleaved by Mpro and PLpro |
763894 |
| 3.4.22.B80 | drug development |
chemical-informatics approach to COVID-19 drug discovery. Monte Carlo based QSAR, virtual screening and molecular docking study of some in-house molecules as papain-like protease inhibitors |
757248 |
| 3.4.22.B80 | drug development |
inhibition of SCoV2-PLpro with GRL-0617 impairs the virus-induced cytopathogenic effect, fosters the anti-viral interferon pathway and reduces viral replication in infected cells. These results highlight a dual therapeutic strategy in which targeting of SCoV2-PLpro can suppress SARS-CoV-2 infection and promote anti-viral immunity |
757806 |
| 3.4.22.B80 | drug development |
inhibitors of papain-like protease show promising results as an antiviral therapy in vitro. A list of inhibitors is reported that suggests possible therapeutic strategies for COVID-19 treatment, using both clinical and preclinical drugs |
757004 |
| 3.4.22.B80 | drug development |
naphthalene PLpro inhibitors designed for SARS-CoV can inhibit SARSCoV-2 PLpro as well as impede SARS-CoV-2 replication |
755700 |
| 3.4.22.B80 | drug development |
SARS-CoV-2 papain like protease is an important anti-virus drug target protein for the development of small-molecule inhibitors |
755740 |
| 3.4.22.B80 | drug development |
SARS-CoV-2 papain-like protease (PLpro) is used to virtually screen 1697 clinical Food and Drug Administration-approved drugs. Among the top results expected to bind with SARS-CoV-2 PLpro strongly are three cell protectives and antioxidants (NAD+, quercitrin, and oxiglutatione), three antivirals (ritonavir, moroxydine, and zanamivir), two antimicrobials (doripenem and sulfaguanidine), two anticancer drugs, three benzimidazole anthelmintics, one antacid (famotidine), three anti-hypertensive ACE receptor blockers (candesartan, losartan, and valsartan) and other miscellaneous systemically or topically acting drugs. The binding patterns of these drugs are superior to the SARS CoV PLpro inhibitor, 6-mercaptopurine, suggesting a potential for repurposing these drugs to treat COVID-19. The ten drugs with the highest estimated docking scores with favorable pharmacokinetics are subjected to molecular dynamics simulations followed by molecular mechanics/generalized Born surface area binding energy calculations. Phenformin, quercetin, and ritonavir all demonstrated prospective binding affinities for SARS-CoV-2 papain-like protease over 50 ns MD simulations, with binding energy values of -56.6, -40.9, and -37.6 kcal/mol, respectively. Energetic and structural analyses show phenformin is more stable than quercetin and ritonavir. The list of the drugs provided constitutes a primer for clinical application in COVID-19 patients and guidance for further antiviral studies |
757251 |
| 3.4.22.B80 | drug development |
synergistic inhibition of the enzyme by disulfiram and 6-thioguanine or mycophenolic acid implies the potential for combination treatments using these three clinically available drugs |
755817 |
| 3.4.22.B80 | drug development |
the enzyme represents a highly promising target for the development of antiviral drugs |
763705 |
| 3.4.22.B80 | drug development |
virtual screening-driven drug discovery of SARS-CoV2 enzyme inhibitors targeting viral attachment, replication, post-translational modification and host immunity evasion infection mechanisms. Scedapin C, quinadoline B, norquinadoline A, isochaetochromin D1 and 11alpha-dehydroxyisoterreulactone A exhibit high binding affinities on papain-like protease. Molecular dynamics simulation and subsequent totalfree energy calculation reveal that the complexes formed between the top-ranked ligands and their respective protein targets are dynamically stable with high total free energy of binding. Therefore, these compounds can be utilized as templates or prototypes for further development of multitargeting ligands against SARS-CoV2 |
757250 |
