Literature summary for 3.1.1.7 extracted from

Carolan, C.G.; Gaynor, J.M.; Dillon, G.P.; Khan, D.; Ryder, S.A.; Reidy, S.; Gilmer, J.F.
Novel isosorbide di-ester compounds as inhibitors of acetylcholinesterase (2008), Chem. Biol. Interact., 175, 293-297.

Search for more literature for 3.1.1.7

Inhibitors

Inhibitors	Comment	Organism	Structure
isosorbide di-(2-chlorobenzoate)	-	Electrophorus electricus
isosorbide di-(3-chlorobenzoate)	-	Electrophorus electricus
isosorbide di-(4-bromobenzoate)	-	Electrophorus electricus
isosorbide di-(4-chlorobenzoate)	-	Electrophorus electricus
additional information	binding structures and inhibitory potencies of isosorbide di-esters, that are mixed inhibitors of the enzyme forming a ternary enzyme-inhibitor-substrate complex, molecular modelling, overview. The di-esters dock within the butyrylcholinesterase gorge in a very different manner, with the ester side chain at the 5-position occupying the acyl pocket at residues Leu286 and Val288, and the 2-ester binding to Trp82. The carbonyl group of the 2-ester is susceptible to nucleophilic attack by Ser198 of the catalytic triad. The larger residues of the acyl pocket in acetylcholinesterase prevent binding in this manner	Electrophorus electricus

Organism

Organism	UniProt	Comment	Textmining
Electrophorus electricus	-	type V-S enzyme	-

Source Tissue

Source Tissue	Comment	Organism	Textmining
commercial preparation	-	Electrophorus electricus	-
electric organ	-	Electrophorus electricus	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
acetylthiocholine iodide + H2O	detection with 5,5'-dithio-bis-2-nitrobenzoic acid, i.e. DTNB	Electrophorus electricus	acetate + thiocholine iodide	-	?

Synonyms

Synonyms	Comment	Organism
AChE	-	Electrophorus electricus

Temperature Optimum [°C]

Temperature Optimum [°C]	Temperature Optimum Maximum [°C]	Comment	Organism
37	-	assay at	Electrophorus electricus

pH Optimum

pH Optimum Minimum	pH Optimum Maximum	Comment	Organism
8	-	assay at	Electrophorus electricus

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism	Structure
0.0066	-	isosorbide di-(4-chlorobenzoate)	-	Electrophorus electricus
0.0078	-	isosorbide di-(3-chlorobenzoate)	-	Electrophorus electricus
0.0433	-	isosorbide di-(2-chlorobenzoate)	-	Electrophorus electricus
0.1049	-	isosorbide di-(4-bromobenzoate)	-	Electrophorus electricus

Use of this online version of BRENDA is free under the CC BY 4.0 license. See terms of use for full details.

Release 2023.1 (January 2023)