Application | Comment | Organism |
---|---|---|
drug development | 1-deoxy-D-xylulose-5-phosphate reductoisomerase in the nonmevalonate isoprene biosynthesis pathway is a target for developing antimalarial drugs | Plasmodium falciparum |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
fosmidomycin | - |
Escherichia coli | |
fosmidomycin | - |
Plasmodium falciparum | |
additional information | pyridine-containing fosmidomycin derivative inhibitor design and development using quantitative structure?activity relationship and crystallographic studies, synthesis, overview | Plasmodium falciparum | |
[3-[acetyl(hydroxy)amino]-1-(pyridin-3-yl)propyl]phosphonic acid | - |
Escherichia coli | |
[3-[acetyl(hydroxy)amino]-1-(pyridin-3-yl)propyl]phosphonic acid | - |
Plasmodium falciparum | |
[3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid | - |
Escherichia coli | |
[3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid | - |
Plasmodium falciparum | |
[3-[acetyl(hydroxy)amino]-1-phenylpropyl]phosphonic acid | - |
Escherichia coli | |
[3-[acetyl(hydroxy)amino]-1-phenylpropyl]phosphonic acid | - |
Plasmodium falciparum | |
[3-[formyl(hydroxy)amino]-1-(pyridin-3-yl)propyl]phosphonic acid | - |
Escherichia coli | |
[3-[formyl(hydroxy)amino]-1-(pyridin-3-yl)propyl]phosphonic acid | - |
Plasmodium falciparum | |
[3-[formyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid | - |
Escherichia coli | |
[3-[formyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid | - |
Plasmodium falciparum | |
[3-[formyl(hydroxy)amino]-1-phenylpropyl]phosphonic acid | - |
Escherichia coli | |
[3-[formyl(hydroxy)amino]-1-phenylpropyl]phosphonic acid | - |
Plasmodium falciparum |
Metals/Ions | Comment | Organism | Structure |
---|---|---|---|
Mg2+ | activates, can substitute for Mg2+ | Escherichia coli | |
Mg2+ | activates, can substitute for Mg2+ | Plasmodium falciparum | |
Mn2+ | required, activates | Escherichia coli | |
Mn2+ | required, activates | Plasmodium falciparum |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
1-deoxy-D-xylulose 5-phosphate + NADPH + H+ | Escherichia coli | - |
2-C-methyl-D-erythritol 4-phosphate + NADP+ | - |
? | |
1-deoxy-D-xylulose 5-phosphate + NADPH + H+ | Plasmodium falciparum | - |
2-C-methyl-D-erythritol 4-phosphate + NADP+ | - |
? |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Escherichia coli | - |
- |
- |
Plasmodium falciparum | O96693 | - |
- |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
1-deoxy-D-xylulose 5-phosphate + NADPH + H+ | - |
Escherichia coli | 2-C-methyl-D-erythritol 4-phosphate + NADP+ | - |
? | |
1-deoxy-D-xylulose 5-phosphate + NADPH + H+ | - |
Plasmodium falciparum | 2-C-methyl-D-erythritol 4-phosphate + NADP+ | - |
? |
Synonyms | Comment | Organism |
---|---|---|
1-deoxyxylulose-5-phosphate reductoisomerase | - |
Escherichia coli |
1-deoxyxylulose-5-phosphate reductoisomerase | - |
Plasmodium falciparum |
DXR | - |
Escherichia coli |
DXR | - |
Plasmodium falciparum |
Cofactor | Comment | Organism | Structure |
---|---|---|---|
NADPH | - |
Escherichia coli | |
NADPH | - |
Plasmodium falciparum |
Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|
0.0000019 | - |
[3-[acetyl(hydroxy)amino]-1-(pyridin-3-yl)propyl]phosphonic acid | pH 7.5, 22°C | Plasmodium falciparum | |
0.0000089 | - |
[3-[formyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid | pH 7.5, 22°C | Plasmodium falciparum | |
0.000013 | - |
[3-[formyl(hydroxy)amino]-1-(pyridin-3-yl)propyl]phosphonic acid | pH 7.5, 22°C | Plasmodium falciparum | |
0.000013 | - |
[3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid | pH 7.5, 22°C | Plasmodium falciparum | |
0.000021 | - |
fosmidomycin | pH 7.5, 22°C | Plasmodium falciparum | |
0.000034 | - |
fosmidomycin | pH 7.5, 22°C, IC50 versus proliferation of Plasmodium falciparum strain Dd2 | Escherichia coli | |
0.000035 | - |
[3-[formyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid | pH 7.5, 22°C, IC50 versus proliferation of Plasmodium falciparum strain Dd4 | Escherichia coli | |
0.000042 | - |
[3-[acetyl(hydroxy)amino]-1-(pyridin-3-yl)propyl]phosphonic acid | pH 7.5, 22°C, IC50 versus proliferation of Plasmodium falciparum strain Dd5 | Escherichia coli | |
0.000082 | - |
[3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid | pH 7.5, 22°C, IC50 versus proliferation of Plasmodium falciparum strain Dd6 | Escherichia coli | |
0.000085 | - |
[3-[acetyl(hydroxy)amino]-1-phenylpropyl]phosphonic acid | pH 7.5, 22°C | Plasmodium falciparum | |
0.000087 | - |
[3-[formyl(hydroxy)amino]-1-(pyridin-3-yl)propyl]phosphonic acid | pH 7.5, 22°C, IC50 versus proliferation of Plasmodium falciparum strain Dd3 | Escherichia coli | |
0.00048 | - |
[3-[formyl(hydroxy)amino]-1-phenylpropyl]phosphonic acid | pH 7.5, 22°C | Plasmodium falciparum | |
0.00093 | - |
[3-[acetyl(hydroxy)amino]-1-phenylpropyl]phosphonic acid | pH 7.5, 22°C, IC50 versus proliferation of Plasmodium falciparum strain Dd8 | Escherichia coli | |
0.0015 | - |
[3-[formyl(hydroxy)amino]-1-phenylpropyl]phosphonic acid | pH 7.5, 22°C, IC50 versus proliferation of Plasmodium falciparum strain Dd7 | Escherichia coli |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.00017 | - |
pH 7.5, 22°C, IC50 versus proliferation of Plasmodium falciparum strain Dd2 | Plasmodium falciparum | [3-[formyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid | |
0.00018 | - |
pH 7.5, 22°C, IC50 versus proliferation of Plasmodium falciparum strain 3D7 | Plasmodium falciparum | [3-[formyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid | |
0.00018 | - |
pH 7.5, 22°C, IC50 versus proliferation of Plasmodium falciparum strain Dd2 | Plasmodium falciparum | [3-[formyl(hydroxy)amino]-1-(pyridin-3-yl)propyl]phosphonic acid | |
0.00031 | - |
pH 7.5, 22°C, IC50 versus proliferation of Plasmodium falciparum strain Dd2 | Plasmodium falciparum | [3-[acetyl(hydroxy)amino]-1-(pyridin-3-yl)propyl]phosphonic acid | |
0.00034 | - |
pH 7.5, 22°C, IC50 versus proliferation of Plasmodium falciparum strain 3D7 | Plasmodium falciparum | [3-[formyl(hydroxy)amino]-1-(pyridin-3-yl)propyl]phosphonic acid | |
0.00044 | - |
pH 7.5, 22°C, IC50 versus proliferation of Plasmodium falciparum strain 3D7 | Plasmodium falciparum | [3-[acetyl(hydroxy)amino]-1-(pyridin-3-yl)propyl]phosphonic acid | |
0.00044 | - |
pH 7.5, 22°C, IC50 versus proliferation of Plasmodium falciparum strain Dd2 | Plasmodium falciparum | fosmidomycin | |
0.00046 | - |
pH 7.5, 22°C, IC50 versus proliferation of Plasmodium falciparum strain Dd2 | Plasmodium falciparum | [3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid | |
0.00063 | - |
pH 7.5, 22°C, IC50 versus proliferation of Plasmodium falciparum strain 3D7 | Plasmodium falciparum | [3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid | |
0.00117 | - |
pH 7.5, 22°C, IC50 versus proliferation of Plasmodium falciparum strain 3D7 | Plasmodium falciparum | fosmidomycin | |
0.0017 | - |
pH 7.5, 22°C, IC50 versus proliferation of Plasmodium falciparum strain Dd2 | Plasmodium falciparum | [3-[acetyl(hydroxy)amino]-1-phenylpropyl]phosphonic acid | |
0.0035 | - |
pH 7.5, 22°C, IC50 versus proliferation of Plasmodium falciparum strain 3D7 | Plasmodium falciparum | [3-[acetyl(hydroxy)amino]-1-phenylpropyl]phosphonic acid |
General Information | Comment | Organism |
---|---|---|
metabolism | the 1-deoxy-D-xylulose-5-phosphate reductoisomerase is the second enzyme in the nonmevalonate isoprene biosynthesis pathway, catalyzing the reductive isomerization of 1-deoxy-D-xylulose-5-phosphate to 2-methyl-D-erythritol-4-phosphate for making isopentenyl diphosphate and dimethylallyl diphosphate | Escherichia coli |
metabolism | the 1-deoxy-D-xylulose-5-phosphate reductoisomerase is the second enzyme in the nonmevalonate isoprene biosynthesis pathway, catalyzing the reductive isomerization of 1-deoxy-D-xylulose-5-phosphate to 2-methyl-D-erythritol-4-phosphate for making isopentenyl diphosphate and dimethylallyl diphosphate | Plasmodium falciparum |