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Literature summary for 1.2.3.1 extracted from
- 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.
Application
| Application | Comment | Organism |
|---|---|---|
| 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)
| Crystallization (Comment) | Organism |
|---|---|
| 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
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| epigallocatechin | - |
Homo sapiens |  |
| epigallocatechin gallate | competitive | Homo sapiens | |
| quercetin | mixed type inhibition | Homo sapiens | |
KM Value [mM]
| KM Value [mM] | KM Value Maximum [mM] | Substrate | Comment | Organism | Structure |
|---|---|---|---|---|---|
| 0.12 | - |
O6-benzylguanine | pH 7.4, 37°C | Homo sapiens | |
Localization
| Localization | Comment | Organism | GeneOntology No. | Textmining |
|---|---|---|---|---|
| cytosol | - |
Homo sapiens | 5829 | - |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Homo sapiens | - |
- |
- |
Source Tissue
| Source Tissue | Comment | Organism | Textmining |
|---|---|---|---|
| liver | - |
Homo sapiens | - |
Substrates and Products (Substrate)
| Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| O6-benzylguanine + H2O + O2 | - |
Homo sapiens | O6-benzyl-8-oxoguanine + ? | - |
? | |
Ki Value [mM]
| Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
|---|---|---|---|---|---|
| 0.0012 | - |
quercetin | Kis value, pH 7.4, 37°C | Homo sapiens | |
| 0.0028 | - |
quercetin | Kii value, pH 7.4, 37°C | Homo sapiens | |
| 0.34 | - |
epigallocatechin gallate | pH 7.4, 37°C | Homo sapiens | |
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Release 2023.1 (January 2023)
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