Literature summary for 3.4.22.69 extracted from

Chiou, W.; Chen, J.; Chen, Y.; Yang, J.; Hwang, L.; Lyu, Y.; Yang, H.; Huang, C.
The inhibitory effects of PGG and EGCG against the SARS-CoV-2 3C-like protease (2022), Biochem. Biophys. Res. Commun., 591, 130-136 .

Search for more literature for 3.4.22.69

Application

Application	Comment	Organism
analysis	FRET-based method to assess the proteolytic activity of SARS-CoV-2 3CLpro using intramolecularly quenched fluorogenic peptide substrates corresponding to the cleavage sequence of SARS-CoV-2 3CLpro	Severe acute respiratory syndrome coronavirus 2
analysis	FRET-based method to assess the proteolytic activity of SARS-CoV-2 3CLpro using intramolecularly quenched fluorogenic peptide substrates corresponding to the cleavage sequence of SARS-CoV-2 3CLpro	severe acute respiratory syndrome coronavirus

Inhibitors

Inhibitors	Comment	Organism	Structure
(-)-epigallocatechin-3-gallate	remarkable inhibitory activity against SARS-CoV-2 3CLpro. In molecular docking, (-)-Epigallocatechin-3-gallatestrongly interacts with the substrate binding pocket of SARS-CoV-2 3CLpro, forming hydrogen bonds with catalytic residues C145 and H41	severe acute respiratory syndrome coronavirus
(-)-epigallocatechin-3-gallate	remarkable inhibitory activity against SARS-CoV-2 3CLpro. In molecular docking, (-)-Epigallocatechin-3-gallatestrongly interacts with the substrate binding pocket of SARS-CoV-2 3CLpro, forming hydrogen bonds with catalytic residues C145 and H41	Severe acute respiratory syndrome coronavirus 2
1,2,3,4,6-pentagalloylglucose	remarkable inhibitory activity against SARS-CoV-2 3CLpro. In molecular docking, 1,2,3,4,6-pentagalloylglucose strongly interacts with the substrate binding pocket of SARS-CoV-2 3CLpro, forming hydrogen bonds with catalytic residues C145 and H41	severe acute respiratory syndrome coronavirus
1,2,3,4,6-pentagalloylglucose	remarkable inhibitory activity against SARS-CoV-2 3CLpro. In molecular docking, 1,2,3,4,6-pentagalloylglucose strongly interacts with the substrate binding pocket of SARS-CoV-2 3CLpro, forming hydrogen bonds with catalytic residues C145 and H41	Severe acute respiratory syndrome coronavirus 2

KM Value [mM]

KM Value [mM]	KM Value Maximum [mM]	Substrate	Comment	Organism	Structure
0.0423	-	DABCYL-TSAVLQSGFRKME-EDANS	pH not specified in the publication, temperature not specified in the publication	severe acute respiratory syndrome coronavirus
0.0787	-	DABCYL-TSAVLQSGFRKME-EDANS	pH not specified in the publication, temperature not specified in the publication	Severe acute respiratory syndrome coronavirus 2

Organism

Organism	UniProt	Comment	Textmining
severe acute respiratory syndrome coronavirus	P0C6X7	i.e. replicase polyprotein 1ab	-
Severe acute respiratory syndrome coronavirus 2	P0DTD1	i.e. replicase polyprotein 1ab	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
DABCYL-TSAVLQSGFRKME-EDANS + H2O	internally quenched fluorescent peptide containing a consensus cleavage sequence, with DABCYL at the N-terminal and EDANS at the C-terminal end	Severe acute respiratory syndrome coronavirus 2	DABCYL-TSAVLQ + SGFRKME-EDANS	-	?
DABCYL-TSAVLQSGFRKME-EDANS + H2O	internally quenched fluorescent peptide containing a consensus cleavage sequence, with DABCYL at the N-terminal and EDANS at the C-terminal end	severe acute respiratory syndrome coronavirus	DABCYL-TSAVLQ + SGFRKME-EDANS	-	?

Subunits

Subunits	Comment	Organism
?	x * 37400, SDS-PAGE, recombinant protein	Severe acute respiratory syndrome coronavirus 2
?	x * 37400, SDS-PAGE, recombinant protein	severe acute respiratory syndrome coronavirus

Synonyms

Synonyms	Comment	Organism
3cLpro	-	Severe acute respiratory syndrome coronavirus 2
3cLpro	-	severe acute respiratory syndrome coronavirus

Turnover Number [1/s]

Turnover Number Minimum [1/s]	Turnover Number Maximum [1/s]	Substrate	Comment	Organism	Structure
2.88	-	DABCYL-TSAVLQSGFRKME-EDANS	pH not specified in the publication, temperature not specified in the publication	severe acute respiratory syndrome coronavirus
5.38	-	DABCYL-TSAVLQSGFRKME-EDANS	pH not specified in the publication, temperature not specified in the publication	Severe acute respiratory syndrome coronavirus 2

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.0037	-	pH not specified in the publication, temperature not specified in the publication	Severe acute respiratory syndrome coronavirus 2	1,2,3,4,6-pentagalloylglucose
0.0042	-	pH not specified in the publication, temperature not specified in the publication	Severe acute respiratory syndrome coronavirus 2	(-)-epigallocatechin-3-gallate
0.0069	-	pH not specified in the publication, temperature not specified in the publication	severe acute respiratory syndrome coronavirus	1,2,3,4,6-pentagalloylglucose
0.025	-	pH not specified in the publication, temperature not specified in the publication	severe acute respiratory syndrome coronavirus	(-)-epigallocatechin-3-gallate

General Information

General Information	Comment	Organism
metabolism	the Vmax of SARS-CoV-2 3CLpro is about 2fold higher than that of SARS-CoV 3CLpro. The proteolytic activity of SARS-CoV-2 3CLpro is slightly more efficient than that of SARS-CoV 3CLpro	Severe acute respiratory syndrome coronavirus 2
metabolism	the Vmax of SARS-CoV-2 3CLpro is about 2fold higher than that of SARS-CoV 3CLpro. The proteolytic activity of SARS-CoV-2 3CLpro is slightly more efficient than that of SARS-CoV 3CLpro	severe acute respiratory syndrome coronavirus

kcat/KM [mM/s]

kcat/KM Value [1/mMs^-1]	kcat/KM Value Maximum [1/mMs^-1]	Substrate	Comment	Organism	Structure
68.08	-	DABCYL-TSAVLQSGFRKME-EDANS	pH not specified in the publication, temperature not specified in the publication	severe acute respiratory syndrome coronavirus
68.36	-	DABCYL-TSAVLQSGFRKME-EDANS	pH not specified in the publication, temperature not specified in the publication	Severe acute respiratory syndrome coronavirus 2

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Release 2023.1 (January 2023)