Literature summary for 3.4.22.B80 extracted from

Sivakumar, D.; Stein, M.
Binding of SARS-CoV covalent non-covalent inhibitors to the SARS-CoV-2 papain-like protease and ovarian tumor domain deubiquitinases (2021), Biomolecules, 11, 802 .

Search for more literature for 3.4.22.B80

Application

Application	Comment	Organism
pharmacology	covalent docking plus MD refinement of a representative set of known SARS-CoV inhibitors into OTUB2, OTUB1, and the PLpro from SARS-CoV-2 is used to probe their inhibitor binding and rationalize a deubiquitinase selectivity. It is pointed out that the structural differences in cellular deubiquitinases suggest that these enzymes may be different enough to be selectively targeted	Severe acute respiratory syndrome coronavirus 2

Inhibitors

Inhibitors	Comment	Organism	Structure
additional information	the binding of SARS-CoV covalent non-covalent inhibitors to the SARS-CoV-2 papain-like protease and ovarian tumor domain deubiquitinases (OTUB1 and OTUB2) is studied	Severe acute respiratory syndrome coronavirus 2

Organism

Organism	UniProt	Comment	Textmining
Severe acute respiratory syndrome coronavirus 2	-	SARS-CoV-2	-

Source Tissue

Source Tissue	Comment	Organism	Textmining

Synonyms

Synonyms	Comment	Organism
PLpro	-	Severe acute respiratory syndrome coronavirus 2
SARS-CoV-2 papain-like protease	-	Severe acute respiratory syndrome coronavirus 2

General Information

General Information	Comment	Organism
drug target	covalent docking plus MD refinement of a representative set of known SARS-CoV inhibitors into OTUB2, OTUB1, and the PLpro from SARS-CoV-2 is used to probe their inhibitor binding and rationalize a deubiquitinase selectivity. It is pointed out that the structural differences in cellular deubiquitinases suggest that these enzymes may be different enough to be selectively targeted	Severe acute respiratory syndrome coronavirus 2
physiological function	the enzyme is essential for viral replication	Severe acute respiratory syndrome coronavirus 2

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Release 2023.1 (January 2023)