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Literature summary extracted from

  • Barr, J.T.; Jones, J.P.; Oberlies, N.H.; Paine, M.F.
    Inhibition of human aldehyde oxidase activity by diet-derived constituents: structural influence, enzyme-ligand interactions, and clinical relevance (2015), Drug Metab. Dispos., 43, 34-41.
    View publication on PubMedView publication on EuropePMC

Application

EC Number Application Comment Organism
1.2.3.1 nutrition identification of 17 diet-derived constituents as inhibitors, with Kiss that vary approximately 300fold. Inhibitors bind within the active site and elucidate key enzyme-inhibitor interactions. QSAR modeling identified three structural descriptors that correlate with inhibition potency Homo sapiens

Crystallization (Commentary)

EC Number Crystallization (Comment) Organism
1.2.3.1 homology modeling and docking of inhibitors epigallocatchin and epigallocatechin gallate. Interactions include pi-stacking between the phenyl rings of epigallocatchin and residues F923 and F885 and hydrogen bonding between two phenol groups and the carboxylate group on residue E882 Homo sapiens

Inhibitors

EC Number Inhibitors Comment Organism Structure
1.2.3.1 epigallocatechin
-
 Homo sapiens
1.2.3.1 epigallocatechin gallate competitive Homo sapiens
1.2.3.1 quercetin mixed type inhibition Homo sapiens

KM Value [mM]

EC Number KM Value [mM] KM Value Maximum [mM] Substrate Comment Organism Structure
1.2.3.1 0.12
-
 O6-benzylguanine pH 7.4, 37°C Homo sapiens

Localization

EC Number Localization Comment Organism GeneOntology No. Textmining
1.2.3.1 cytosol
-
 Homo sapiens 5829
-

Organism

EC Number Organism UniProt Comment Textmining
1.2.3.1 Homo sapiens
-
-
-

Source Tissue

EC Number Source Tissue Comment Organism Textmining
1.2.3.1 liver
-
 Homo sapiens
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
1.2.3.1 O6-benzylguanine + H2O + O2
-
 Homo sapiens O6-benzyl-8-oxoguanine + ?
-
 ?

Ki Value [mM]

EC Number Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
1.2.3.1 0.0012
-
 quercetin Kis value, pH 7.4, 37°C Homo sapiens
1.2.3.1 0.0028
-
 quercetin Kii value, pH 7.4, 37°C Homo sapiens
1.2.3.1 0.34
-
 epigallocatechin gallate pH 7.4, 37°C Homo sapiens