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Literature summary extracted from
- 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 .
Inhibitors
| EC Number | Inhibitors | Comment | Organism | Structure |
|---|---|---|---|---|
| 3.1.1.7 | 2-amino-3-((1R)-1-cyclohexyl-2-[(cyclohexylcarbonyl)amino]ethyl)-6-phenoxyquinazolin-3-ium | - |
Electrophorus electricus |  |
| 3.1.1.7 | 3,5,7,3',4'-pentamethoxyflavone | - |
Electrophorus electricus | |
| 3.1.1.7 | 6-formyl umbelliferone | isolated from Angelica decursiva, noncompetitive inhibition | Electrophorus electricus | |
| 3.1.1.7 | 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 | |
| 3.1.1.7 | Berberine | - |
Electrophorus electricus | |
| 3.1.1.7 | donepezil | - |
Electrophorus electricus | |
| 3.1.1.7 | galantamine | - |
Electrophorus electricus | |
| 3.1.1.7 | additional information | molecular docking, modelling, overview | Electrophorus electricus | |
| 3.1.1.7 | rivastigmine | - |
Electrophorus electricus | |
| 3.1.1.7 | tacrine | - |
Electrophorus electricus | |
| 3.1.1.7 | 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 | |
| 3.1.1.8 | 2-amino-3-((1R)-1-cyclohexyl-2-[(cyclohexylcarbonyl)amino]ethyl)-6-phenoxyquinazolin-3-ium | - |
Equus caballus | |
| 3.1.1.8 | 3,5,7,3',4'-pentamethoxyflavone | - |
Equus caballus | |
| 3.1.1.8 | 6-formylumbelliferone | isolated from Angelica decursiva, noncompetitive inhibition | Equus caballus | |
| 3.1.1.8 | 8-formylumbelliferone | noncompetitive inhibition | Equus caballus | |
| 3.1.1.8 | Berberine | - |
Equus caballus | |
| 3.1.1.8 | donepezil | - |
Equus caballus | |
| 3.1.1.8 | galantamine | - |
Equus caballus | |
| 3.1.1.8 | additional information | molecular docking, modelling, overview | Equus caballus | |
| 3.1.1.8 | rivastigmine | - |
Equus caballus | |
| 3.1.1.8 | tacrine | - |
Equus caballus | |
| 3.1.1.8 | umbelliferone | isolated from Angelica decursiva | Equus caballus | |
Natural Substrates/ Products (Substrates)
| EC Number | Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
|---|---|---|---|---|---|---|---|
| 3.1.1.7 | acetylcholine + H2O | Electrophorus electricus | - |
choline + acetate | - |
? | |
| 3.1.1.8 | butyrylcholine + H2O | Equus caballus | - |
choline + butyrate | - |
? | |
Organism
| EC Number | Organism | UniProt | Comment | Textmining |
|---|---|---|---|---|
| 3.1.1.7 | Electrophorus electricus | O42275 | - |
- |
| 3.1.1.8 | Equus caballus | P81908 | - |
- |
Source Tissue
| EC Number | Source Tissue | Comment | Organism | Textmining |
|---|---|---|---|---|
| 3.1.1.7 | commercial preparation | - |
Electrophorus electricus | - |
| 3.1.1.8 | commercial preparation | - |
Equus caballus | - |
| 3.1.1.8 | serum | - |
Equus caballus | - |
Substrates and Products (Substrate)
| EC Number | Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|---|
| 3.1.1.7 | acetylcholine + H2O | - |
Electrophorus electricus | choline + acetate | - |
? | |
| 3.1.1.8 | butyrylcholine + H2O | - |
Equus caballus | choline + butyrate | - |
? | |
Synonyms
| EC Number | Synonyms | Comment | Organism |
|---|---|---|---|
| 3.1.1.7 | AChE | - |
Electrophorus electricus |
| 3.1.1.8 | BChE | - |
Equus caballus |
| 3.1.1.8 | butyrylcholinesterase | - |
Equus caballus |
Temperature Optimum [°C]
| EC Number | Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
|---|---|---|---|---|
| 3.1.1.7 | 22 | - |
assay at room temperature | Electrophorus electricus |
| 3.1.1.8 | 22 | - |
assay at room temperature | Equus caballus |
pH Optimum
| EC Number | pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
|---|---|---|---|---|
| 3.1.1.7 | 8 | - |
assay at | Electrophorus electricus |
| 3.1.1.8 | 8 | - |
assay at | Equus caballus |
IC50 Value
| EC Number | IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
|---|---|---|---|---|---|---|
| 3.1.1.7 | 0.00014 | - |
pH 8.0, 22°C | Electrophorus electricus | Berberine | |
| 3.1.1.7 | 0.0167 | - |
pH 8.0, 22°C | Electrophorus electricus | 6-formyl umbelliferone | |
| 3.1.1.7 | 0.01913 | - |
pH 8.0, 22°C | Electrophorus electricus | 8-formyl umbelliferone | |
| 3.1.1.7 | 0.1055 | - |
pH 8.0, 22°C | Electrophorus electricus | umbelliferone | |
| 3.1.1.8 | 0.00981 | - |
pH 8.0, 22°C | Equus caballus | Berberine | |
| 3.1.1.8 | 0.0279 | - |
pH 8.0, 22°C | Equus caballus | 6-formylumbelliferone | |
| 3.1.1.8 | 0.08767 | - |
pH 8.0, 22°C | Equus caballus | 8-formylumbelliferone | |
| 3.1.1.8 | 0.09014 | - |
pH 8.0, 22°C | Equus caballus | umbelliferone | |
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