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Literature summary for 1.3.1.9 extracted from
- Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis (2006), J. Med. Chem., 49, 6308-6323.
Application
| Application | Comment | Organism |
|---|---|---|
| medicine | tuberculosis, TB, target of anti-tubercular agents | Mycobacterium tuberculosis |
Cloned(Commentary)
| Cloned (Comment) | Organism |
|---|---|
| into a pET15b vector for expression in Escherichia coli BL21-Gold (DE3) | Mycobacterium tuberculosis |
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| 1-cyclohexyl-N-(3,5-diphenyl-4-hydroxyl)phenyl-5-oxopyrrolidine-3-carboxamide | best inhibitor of the sreening with an IC50: 62 nanoM | Mycobacterium tuberculosis |  |
| pyrrolidine carboxamide | IC50: 10.05 microM, chosen as a lead structure for further structure optimization | Mycobacterium tuberculosis | |
Natural Substrates/ Products (Substrates)
| Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| acyl-[acyl-carrier protein] + NAD+ | Mycobacterium tuberculosis | - |
trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+ | - |
? | |
| acyl-[acyl-carrier protein] + NAD+ | Mycobacterium tuberculosis H37Rv | - |
trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+ | - |
? | |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Mycobacterium tuberculosis | P9WGR1 | - |
- |
| Mycobacterium tuberculosis H37Rv | P9WGR1 | - |
- |
Purification (Commentary)
| Purification (Comment) | Organism |
|---|---|
| using a 15Q high-resolution anion exchange column and a Hightrap butyl Sepharose column | Mycobacterium tuberculosis |
Storage Stability
| Storage Stability | Organism |
|---|---|
| -20°C, 30 mM PIPES, pH 6.8, 50% glycerol, 6 months | Mycobacterium tuberculosis |
Substrates and Products (Substrate)
| Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| acyl-[acyl-carrier protein] + NAD+ | - |
Mycobacterium tuberculosis | trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+ | - |
? | |
| acyl-[acyl-carrier protein] + NAD+ | - |
Mycobacterium tuberculosis H37Rv | trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+ | - |
? | |
Synonyms
| Synonyms | Comment | Organism |
|---|---|---|
| enoyl acyl carrier protein reductase | - |
Mycobacterium tuberculosis |
| enoyl-[acyl-carrier-protein] reductase | - |
Mycobacterium tuberculosis |
| ENR | - |
Mycobacterium tuberculosis |
| InhA | - |
Mycobacterium tuberculosis |
Temperature Optimum [°C]
| Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
|---|---|---|---|
| 23 | - |
activity assay | Mycobacterium tuberculosis |
pH Optimum
| pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
|---|---|---|---|
| 6.8 | - |
activity assay | Mycobacterium tuberculosis |
Cofactor
| Cofactor | Comment | Organism | Structure |
|---|---|---|---|
| NADH | - |
Mycobacterium tuberculosis | |
IC50 Value
| IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
|---|---|---|---|---|---|
| 0.000062 | - |
best inhibitor of the sreening with an IC50: 62 nanoM | Mycobacterium tuberculosis | 1-cyclohexyl-N-(3,5-diphenyl-4-hydroxyl)phenyl-5-oxopyrrolidine-3-carboxamide | |
| 0.01005 | - |
IC50: 10.05 microM, chosen as a lead structure for further structure optimization | Mycobacterium tuberculosis | pyrrolidine carboxamide | |
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