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Literature summary extracted from
- Design, synthesis and evaluation of novel uracil acetamide derivatives as potential inhibitors of Plasmodium falciparum dUTP nucleotidohydrolase (2009), Eur. J. Med. Chem., 44, 678-688.
Application
| EC Number | Application | Comment | Organism |
|---|---|---|---|
| 3.6.1.23 | drug development | the enzyme is a target for anti-malarial drugs | Plasmodium falciparum |
Inhibitors
| EC Number | Inhibitors | Comment | Organism | Structure |
|---|---|---|---|---|
| 3.6.1.23 | 1-[N-(2-triphenylmethylaminoethyl)-acetamide]uracil | - |
Plasmodium falciparum |  |
| 3.6.1.23 | 1-[N-(3-triphenylmethylaminopropyl)-acetamide]uracil | - |
Plasmodium falciparum | |
| 3.6.1.23 | 1-[N-(4-triphenylmethylaminobutyl)-acetamide]uracil | - |
Plasmodium falciparum | |
| 3.6.1.23 | 1-[N-(triphenylmethyl) diaminodi(n-propyl) acetamide]uracil | - |
Plasmodium falciparum | |
| 3.6.1.23 | 1-[N-(triphenylmethylaminoethyl)-N-(aminoethyl) acetamide]uracil | - |
Plasmodium falciparum | |
| 3.6.1.23 | 1-[N-hydroxyethyl-N-(triphenylmethylamino) ethyl-acetamide]uracil | - |
Plasmodium falciparum | |
| 3.6.1.23 | additional information | design and synthesis of tert-butyl diphenyl silyl uracil acetamides inhibitors, molecular modelling, overview | Plasmodium falciparum | |
| 3.6.1.23 | N-[3-(tert-butyl diphenyl silanyloxy)-propyl]-2-uracil acetamide | - |
Plasmodium falciparum | |
| 3.6.1.23 | N-[4-(tert-butyl diphenyl silanyloxy)-butyl]-2-uracil acetamide | - |
Plasmodium falciparum | |
Metals/Ions
| EC Number | Metals/Ions | Comment | Organism | Structure |
|---|---|---|---|---|
| 3.6.1.23 | Mg2+ | dependent on | Plasmodium falciparum | |
Natural Substrates/ Products (Substrates)
| EC Number | Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
|---|---|---|---|---|---|---|---|
| 3.6.1.23 | dUTP + H2O | Plasmodium falciparum | the enzyme has two major roles in maintaining the correct free nucleotide balance in the cell. It provides dUMP, a major cellular source for dTMP which is in turn needed for dTTP formation. It also maintains the concentration of dUTP lower than that of dTTP thereby minimizing mistaken incorporation of dUTP into DNA | dUMP + diphosphate | - |
? | |
Organism
| EC Number | Organism | UniProt | Comment | Textmining |
|---|---|---|---|---|
| 3.6.1.23 | Plasmodium falciparum | - |
- |
- |
Substrates and Products (Substrate)
| EC Number | Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|---|
| 3.6.1.23 | dUTP + H2O | - |
Plasmodium falciparum | dUMP + diphosphate | - |
? | |
| 3.6.1.23 | dUTP + H2O | the enzyme has two major roles in maintaining the correct free nucleotide balance in the cell. It provides dUMP, a major cellular source for dTMP which is in turn needed for dTTP formation. It also maintains the concentration of dUTP lower than that of dTTP thereby minimizing mistaken incorporation of dUTP into DNA | Plasmodium falciparum | dUMP + diphosphate | - |
? | |
Subunits
| EC Number | Subunits | Comment | Organism |
|---|---|---|---|
| 3.6.1.23 | trimer | - |
Plasmodium falciparum |
Synonyms
| EC Number | Synonyms | Comment | Organism |
|---|---|---|---|
| 3.6.1.23 | dUTP nucleotidohydrolase | - |
Plasmodium falciparum |
| 3.6.1.23 | dUTP pyrophosphatase | - |
Plasmodium falciparum |
| 3.6.1.23 | dUTPase | - |
Plasmodium falciparum |
Ki Value [mM]
| EC Number | Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
|---|---|---|---|---|---|---|
| 3.6.1.23 | 0.0231 | - |
1-[N-(3-triphenylmethylaminopropyl)-acetamide]uracil | - |
Plasmodium falciparum | |
| 3.6.1.23 | 0.0373 | - |
1-[N-(2-triphenylmethylaminoethyl)-acetamide]uracil | - |
Plasmodium falciparum | |
| 3.6.1.23 | 1 | - |
N-[3-(tert-butyl diphenyl silanyloxy)-propyl]-2-uracil acetamide | above | Plasmodium falciparum | |
| 3.6.1.23 | 1 | - |
N-[4-(tert-butyl diphenyl silanyloxy)-butyl]-2-uracil acetamide | above | Plasmodium falciparum | |
| 3.6.1.23 | 1 | - |
1-[N-(4-triphenylmethylaminobutyl)-acetamide]uracil | above | Plasmodium falciparum | |
| 3.6.1.23 | 1 | - |
1-[N-(triphenylmethylaminoethyl)-N-(aminoethyl) acetamide]uracil | above | Plasmodium falciparum | |
| 3.6.1.23 | 1 | - |
1-[N-(triphenylmethyl) diaminodi(n-propyl) acetamide]uracil | above | Plasmodium falciparum | |
| 3.6.1.23 | 1 | - |
1-[N-hydroxyethyl-N-(triphenylmethylamino) ethyl-acetamide]uracil | above | Plasmodium falciparum | |
IC50 Value
| EC Number | IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
|---|---|---|---|---|---|---|
| 3.6.1.23 | 0.0025 | - |
- |
Plasmodium falciparum | 1-[N-(3-triphenylmethylaminopropyl)-acetamide]uracil | |
| 3.6.1.23 | 0.0029 | - |
above | Plasmodium falciparum | 1-[N-(4-triphenylmethylaminobutyl)-acetamide]uracil | |
| 3.6.1.23 | 0.0037 | - |
above | Plasmodium falciparum | N-[4-(tert-butyl diphenyl silanyloxy)-butyl]-2-uracil acetamide | |
| 3.6.1.23 | 0.0039 | - |
above | Plasmodium falciparum | 1-[N-(triphenylmethyl) diaminodi(n-propyl) acetamide]uracil | |
| 3.6.1.23 | 0.0042 | - |
- |
Plasmodium falciparum | 1-[N-(2-triphenylmethylaminoethyl)-acetamide]uracil | |
| 3.6.1.23 | 0.0045 | - |
above | Plasmodium falciparum | 1-[N-(triphenylmethylaminoethyl)-N-(aminoethyl) acetamide]uracil | |
| 3.6.1.23 | 0.0046 | - |
above | Plasmodium falciparum | N-[3-(tert-butyl diphenyl silanyloxy)-propyl]-2-uracil acetamide | |
| 3.6.1.23 | 0.083 | - |
above | Plasmodium falciparum | 1-[N-hydroxyethyl-N-(triphenylmethylamino) ethyl-acetamide]uracil | |
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