Literature summary extracted from

Torres, R.A.; Korzekwa, K.R.; McMasters, D.R.; Fandozzi, C.M.; Jones, J.P.
Use of density functional calculations to predict the regioselectivity of drugs and molecules metabolized by aldehyde oxidase (2007), J. Med. Chem., 50, 4642-4647.

Application

EC Number	Application	Comment	Organism
1.2.3.1	degradation	the enzyme plays a dual role in the metabolism of physiologically important endogenous compounds and the biotransformation of xenobiotics. Simple qualitative method using density functional theory to predict the product of aldehyde oxidase metabolism by examining the energetics of likely tetrahedral intermediates resulting from nucleophilic attack on carbon	synthetic construct

Organism

EC Number	Organism	UniProt	Comment	Textmining
1.2.3.1	synthetic construct	-	-	-

Substrates and Products (Substrate)

EC Number	Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
1.2.3.1	benzaldehyde + H2O + O2	-	synthetic construct	benzoic acid + H2O2	-	?
1.2.3.1	additional information	oxidation of substrates by aldehyde oxidase appears to be due primarily to the electronic effects of the substituents	synthetic construct	?	-	?
1.2.3.1	phthalazine + H2O + O2	-	synthetic construct	1-phthalazinone + H2O2	-	?

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Release 2023.1 (January 2023)