Crystallization (Comment) | Organism |
---|---|
hanging drop vapor diffusion method | Trypanosoma brucei brucei |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
1-ethyl-5-[5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl]-1H-indole | 0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 14% inhibition | Trypanosoma brucei brucei | |
1-ethyl-5-[5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl]-1H-indole | 0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 27% inhibition | Trypanosoma cruzi | |
1-[1-(4,5-diphenylthiophen-2-yl)cyclohexyl]pyrrolidine | 0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 11% inhibition | Trypanosoma brucei brucei | |
1-[1-(4,5-diphenylthiophen-2-yl)cyclohexyl]pyrrolidine | 0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 15% inhibition | Trypanosoma cruzi | |
1-[1-[4,5-bis(2H-1,3-benzodioxol-5-yl)thiophen-2-yl]cyclohexyl]pyrrolidine | 0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 11% inhibition | Trypanosoma brucei brucei | |
1-[1-[4,5-bis(2H-1,3-benzodioxol-5-yl)thiophen-2-yl]cyclohexyl]pyrrolidine | 0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 23% inhibition | Trypanosoma cruzi | |
1-[2-(4-methylpiperazin-1-yl)ethyl]-5-[5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl]-1H-indole | 0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase,60 % inhibition | Trypanosoma brucei brucei | |
1-[2-(4-methylpiperazin-1-yl)ethyl]-5-[5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl]-1H-indole | 0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 78% inhibition | Trypanosoma cruzi | |
1-[2-(morpholin-4-yl)ethyl]-5-[5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl]-1H-indole | 0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 34% inhibition | Trypanosoma brucei brucei | |
1-[2-(morpholin-4-yl)ethyl]-5-[5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl]-1H-indole | 0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 38% inhibition | Trypanosoma cruzi | |
1-[2-(piperazin-1-yl)ethyl]-5-[5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl]-1H-indole | 0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 80% inhibition | Trypanosoma brucei brucei | |
1-[2-(piperazin-1-yl)ethyl]-5-[5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl]-1H-indole | 0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 88% inhibition | Trypanosoma cruzi | |
1-[2-(piperidin-4-yl)ethyl]-5-[5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl]-1H-indole | 0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 68% inhibition | Trypanosoma brucei brucei | |
1-[2-(piperidin-4-yl)ethyl]-5-[5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl]-1H-indole | 0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 84% inhibition | Trypanosoma cruzi | |
3,3'-[5-[1-(pyrrolidin-1-yl)cyclohexyl]thiophene-2,3-diyl]dipyridine | 0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 10% inhibition | Trypanosoma brucei brucei | |
3,3'-[5-[1-(pyrrolidin-1-yl)cyclohexyl]thiophene-2,3-diyl]dipyridine | 0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 10% inhibition | Trypanosoma cruzi | |
5-[2-(1-benzothiophen-5-yl)-5-[1-(pyrrolidin-1-yl)cyclohexyl]thiophen-3-yl]-1H-indole | 0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 14% inhibition | Trypanosoma brucei brucei | |
5-[2-(1-benzothiophen-5-yl)-5-[1-(pyrrolidin-1-yl)cyclohexyl]thiophen-3-yl]-1H-indole | 0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 41% inhibition | Trypanosoma cruzi | |
5-[2-phenyl-5-[1-(pyrrolidin-1-yl)cyclohexyl]thiophen-3-yl]-1H-indole | 0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 29% inhibition | Trypanosoma brucei brucei | |
5-[2-phenyl-5-[1-(pyrrolidin-1-yl)cyclohexyl]thiophen-3-yl]-1H-indole | 0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 38% inhibition | Trypanosoma cruzi | |
5-[3-(1-benzothiophen-5-yl)-5-[1-(pyrrolidin-1-yl)cyclohexyl]thiophen-2-yl]-1H-indole | 0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 23% inhibition | Trypanosoma brucei brucei | |
5-[3-(1-benzothiophen-5-yl)-5-[1-(pyrrolidin-1-yl)cyclohexyl]thiophen-2-yl]-1H-indole | 0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 43% inhibition | Trypanosoma cruzi | |
5-[3-phenyl-5-[1-(pyrrolidin-1-yl)cyclohexyl]thiophen-2-yl]-1H-indole | 0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 14% inhibition | Trypanosoma brucei brucei | |
5-[3-phenyl-5-[1-(pyrrolidin-1-yl)cyclohexyl]thiophen-2-yl]-1H-indole | 0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 41% inhibition | Trypanosoma cruzi | |
5-[5-[1-(pyrrolidin-1-yl)cyclohexyl]thiophen-2-yl]-1H-indole | 0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 19% inhibition | Trypanosoma brucei brucei | |
5-[5-[1-(pyrrolidin-1-yl)cyclohexyl]thiophen-2-yl]-1H-indole | 0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 51% inhibition | Trypanosoma cruzi |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
trypanothione disulfide + NADPH + H+ | Trypanosoma cruzi | - |
trypanothione + NADP+ | - |
? | |
trypanothione disulfide + NADPH + H+ | Trypanosoma brucei brucei | - |
trypanothione + NADP+ | - |
? | |
trypanothione disulfide + NADPH + H+ | Trypanosoma brucei brucei 927/4 GUTat10.1 | - |
trypanothione + NADP+ | - |
? |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Trypanosoma brucei brucei | Q389T8 | - |
- |
Trypanosoma brucei brucei 927/4 GUTat10.1 | Q389T8 | - |
- |
Trypanosoma cruzi | - |
- |
- |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
trypanothione disulfide + NADPH + H+ | - |
Trypanosoma cruzi | trypanothione + NADP+ | - |
? | |
trypanothione disulfide + NADPH + H+ | - |
Trypanosoma brucei brucei | trypanothione + NADP+ | - |
? | |
trypanothione disulfide + NADPH + H+ | - |
Trypanosoma brucei brucei 927/4 GUTat10.1 | trypanothione + NADP+ | - |
? |
Subunits | Comment | Organism |
---|---|---|
homodimer | - |
Trypanosoma cruzi |
homodimer | - |
Trypanosoma brucei brucei |
Synonyms | Comment | Organism |
---|---|---|
trypanothione reductase | - |
Trypanosoma cruzi |
trypanothione reductase | - |
Trypanosoma brucei brucei |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.0021 | - |
pH and temperature not specified in the publication | Trypanosoma cruzi | 1-[2-(piperazin-1-yl)ethyl]-5-[5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl]-1H-indole | |
0.0029 | - |
pH and temperature not specified in the publication | Trypanosoma cruzi | 1-[2-(piperidin-4-yl)ethyl]-5-[5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl]-1H-indole | |
0.0032 | - |
pH and temperature not specified in the publication | Trypanosoma cruzi | 1-[2-(4-methylpiperazin-1-yl)ethyl]-5-[5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl]-1H-indole | |
0.0038 | - |
pH and temperature not specified in the publication | Trypanosoma brucei brucei | 1-[2-(piperazin-1-yl)ethyl]-5-[5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl]-1H-indole | |
0.004 | - |
pH and temperature not specified in the publication | Trypanosoma cruzi | 5-[5-[1-(pyrrolidin-1-yl)cyclohexyl]thiophen-2-yl]-1H-indole | |
0.0043 | - |
pH and temperature not specified in the publication | Trypanosoma cruzi | 5-[2-phenyl-5-[1-(pyrrolidin-1-yl)cyclohexyl]thiophen-3-yl]-1H-indole | |
0.0048 | - |
pH and temperature not specified in the publication | Trypanosoma cruzi | 5-[3-(1-benzothiophen-5-yl)-5-[1-(pyrrolidin-1-yl)cyclohexyl]thiophen-2-yl]-1H-indole | |
0.0056 | - |
pH and temperature not specified in the publication | Trypanosoma cruzi | 5-[3-phenyl-5-[1-(pyrrolidin-1-yl)cyclohexyl]thiophen-2-yl]-1H-indole | |
0.0063 | - |
pH and temperature not specified in the publication | Trypanosoma cruzi | 5-[2-(1-benzothiophen-5-yl)-5-[1-(pyrrolidin-1-yl)cyclohexyl]thiophen-3-yl]-1H-indole | |
0.0065 | - |
pH and temperature not specified in the publication | Trypanosoma brucei brucei | 1-[2-(4-methylpiperazin-1-yl)ethyl]-5-[5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl]-1H-indole | |
0.01 | - |
pH and temperature not specified in the publication | Trypanosoma brucei brucei | 5-[2-phenyl-5-[1-(pyrrolidin-1-yl)cyclohexyl]thiophen-3-yl]-1H-indole | |
0.012 | - |
pH and temperature not specified in the publication | Trypanosoma brucei brucei | 5-[5-[1-(pyrrolidin-1-yl)cyclohexyl]thiophen-2-yl]-1H-indole | |
0.02 | - |
pH and temperature not specified in the publication | Trypanosoma brucei brucei | 5-[3-(1-benzothiophen-5-yl)-5-[1-(pyrrolidin-1-yl)cyclohexyl]thiophen-2-yl]-1H-indole | |
0.025 | - |
pH and temperature not specified in the publication | Trypanosoma brucei brucei | 5-[3-phenyl-5-[1-(pyrrolidin-1-yl)cyclohexyl]thiophen-2-yl]-1H-indole | |
0.035 | - |
pH and temperature not specified in the publication | Trypanosoma brucei brucei | 5-[2-(1-benzothiophen-5-yl)-5-[1-(pyrrolidin-1-yl)cyclohexyl]thiophen-3-yl]-1H-indole |
General Information | Comment | Organism |
---|---|---|
drug target | the enzyme is a promising targets for the development of drugs selective against parasites of the family of trypanosomatids | Trypanosoma cruzi |
drug target | the enzyme is a promising targets for the development of drugs selective against parasites of the family of trypanosomatids | Trypanosoma brucei brucei |
physiological function | trypanosomatids possess a unique redox metabolism based on the dithiol trypanothione and the enzyme trypanothione reductase (TR) that differs distinctively from the glutathione and glutathione reductase-based metabolism in mammals | Trypanosoma cruzi |
physiological function | trypanosomatids possess a unique redox metabolism based on the dithiol trypanothione and the enzyme trypanothione reductase (TR) that differs distinctively from the glutathione and glutathione reductase-based metabolism in mammals | Trypanosoma brucei brucei |