Literature summary for 3.1.1.7 extracted from

Ali, M.Y.; Seong, S.H.; Reddy, M.R.; Seo, S.Y.; Choi, J.S.; Jung, H.A.
Kinetics and molecular docking studies of 6-formyl umbelliferone isolated from Angelica decursiva as an inhibitor of cholinesterase and BACE1 (2017), Molecules, 22, 1604-1616 .

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Inhibitors

Inhibitors	Comment	Organism	Structure
2-amino-3-((1R)-1-cyclohexyl-2-[(cyclohexylcarbonyl)amino]ethyl)-6-phenoxyquinazolin-3-ium	-	Electrophorus electricus
3,5,7,3',4'-pentamethoxyflavone	-	Electrophorus electricus
6-formyl umbelliferone	isolated from Angelica decursiva, noncompetitive inhibition	Electrophorus electricus
8-formyl umbelliferone	noncompetitive inhibition, forms a hydrogen bond with the Glu199 residue. In addition, residues Trp84, Gly117, Gly118, Phe330, His440, and Gly441 are involved in hydrophobic interactions with the coumarin	Electrophorus electricus
Berberine	-	Electrophorus electricus
donepezil	-	Electrophorus electricus
galantamine	-	Electrophorus electricus
additional information	molecular docking, modelling, overview	Electrophorus electricus
rivastigmine	-	Electrophorus electricus
tacrine	-	Electrophorus electricus
umbelliferone	isolated from Angelica decursiva, forms three hydrogen bonds with the interacting residues Tyr121, Phe288, and Arg289. Residues Phe288 and Arg289 are involved in strong hydrogen bonding interactions with the hydroxyl group at position C-7, and Tyr121 is also involved in hydrogen bonding interactions with the ketone group at position C-2. In particular, important peripheral anionic site (PAS) residues, Trp279 and Tyr334, are involved in hydrogen bonding interactions with umbelliferone	Electrophorus electricus

Natural Substrates/ Products (Substrates)

Natural Substrates	Organism	Comment (Nat. Sub.)	Natural Products	Comment (Nat. Pro.)	Rev.	Reac.
acetylcholine + H2O	Electrophorus electricus	-	choline + acetate	-	?

Organism

Organism	UniProt	Comment	Textmining
Electrophorus electricus	O42275	-	-

Source Tissue

Source Tissue	Comment	Organism	Textmining
commercial preparation	-	Electrophorus electricus	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
acetylcholine + H2O	-	Electrophorus electricus	choline + acetate	-	?

Synonyms

Synonyms	Comment	Organism
AChE	-	Electrophorus electricus

Temperature Optimum [°C]

Temperature Optimum [°C]	Temperature Optimum Maximum [°C]	Comment	Organism
22	-	assay at room temperature	Electrophorus electricus

pH Optimum

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

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.00014	-	pH 8.0, 22°C	Electrophorus electricus	Berberine
0.0167	-	pH 8.0, 22°C	Electrophorus electricus	6-formyl umbelliferone
0.01913	-	pH 8.0, 22°C	Electrophorus electricus	8-formyl umbelliferone
0.1055	-	pH 8.0, 22°C	Electrophorus electricus	umbelliferone

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Release 2023.1 (January 2023)