Application | Comment | Organism |
---|---|---|
pharmacology | the enzyme is a target for developing novel anti-tubercular agents | Mycobacterium tuberculosis |
Cloned (Comment) | Organism |
---|---|
expression in Escherichia coli BL21 (DE3) | Mycobacterium tuberculosis |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
2-(2-methyl-4-oxoquinazolin-3(4H)-yl)-N-(5-nitrothiazol-2-yl)acetamide | - |
Mycobacterium tuberculosis | |
2-(2-methyl-4-oxoquinazolin-3(4H)-yl)-N-(6-nitrobenzo[d]thiazol-2-yl)acetamide | - |
Mycobacterium tuberculosis | |
2-(2-methyl-4-oxoquinazolin-3(4H)-yl)-N-(thiophen-2-ylmethyl)acetamide | - |
Mycobacterium tuberculosis | |
2-(2-methyl-4-oxoquinazolin-3(4H)-yl)-N-phenylacetamide | - |
Mycobacterium tuberculosis | |
2-(4-oxoquinazolin-3(4H)-yl)-N-(thiophen-2-ylmethyl)acetamide | - |
Mycobacterium tuberculosis | |
2-(4-oxoquinazolin-3(4H)-yl)-N-phenylacetamide | - |
Mycobacterium tuberculosis | |
2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide | - |
Mycobacterium tuberculosis | |
2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-(5-nitrothiazol-2-yl)acetamide | - |
Mycobacterium tuberculosis | |
2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-(6-nitrobenzo[d]thiazol-2-yl)acetamide | - |
Mycobacterium tuberculosis | |
2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-(furan-2-ylmethyl)acetamide | - |
Mycobacterium tuberculosis | |
2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-(thiophen-2-ylmethyl)acetamide | - |
Mycobacterium tuberculosis | |
2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-phenylacetamide | - |
Mycobacterium tuberculosis | |
2-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide | - |
Mycobacterium tuberculosis | |
2-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-(5-nitrothiazol-2-yl)acetamide | - |
Mycobacterium tuberculosis | |
2-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-(6-nitrobenzo[d]thiazol-2-yl)acetamide | - |
Mycobacterium tuberculosis | |
2-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-(furan-2-ylmethyl)acetamide | - |
Mycobacterium tuberculosis | |
2-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-(thiophen-2-ylmethyl)acetamide | - |
Mycobacterium tuberculosis | |
2-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-phenylacetamide | - |
Mycobacterium tuberculosis | |
additional information | twenty eight 2-(4-oxoquinazolin-3(4H)-yl)acetamide derivatives are synthesized and evaluated for their in vitro Mycobacterium tuberculosis InhA inhibition. Compounds are evaluated for their in vitro activity against drug sensitive and resistant Mycobacterium tuberculosis strains and cytotoxicity against RAW 264.7 cell line. Compounds are docked at the active site of InhA to understand their binding mode and differential scanning fluorimetry is performed to ascertain their protein interaction and stability | Mycobacterium tuberculosis | |
N-(2-chloro-5-(trifluoromethyl)phenyl)-2-(2-methyl-4-oxoquinazolin-3(4H)-yl)acetamide | - |
Mycobacterium tuberculosis | |
N-(2-chloro-5-(trifluoromethyl)phenyl)-2-(4-oxoquinazolin-3(4H)-yl)acetamide | - |
Mycobacterium tuberculosis | |
N-(5-nitrothiazol-2-yl)-2-(4-oxoquinazolin-3(4H)-yl)acetamide | - |
Mycobacterium tuberculosis | |
N-(6-nitrobenzo[d]thiazol-2-yl)-2-(4-oxoquinazolin-3(4H)-yl)acetamide | - |
Mycobacterium tuberculosis | |
N-(benzo[d]thiazol-2-yl)-2-(2-methyl-4-oxoquinazolin-3(4H)-yl)acetamide | - |
Mycobacterium tuberculosis | |
N-(benzo[d]thiazol-2-yl)-2-(4-oxoquinazolin-3(4H)-yl)acetamide | - |
Mycobacterium tuberculosis | |
N-(benzo[d]thiazol-2-yl)-2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)acetamide | - |
Mycobacterium tuberculosis | |
N-(furan-2-yl-methyl)-2-(4-oxoquinazolin-3(4H)-yl)acetamide | - |
Mycobacterium tuberculosis | |
N-(furan-2-ylmethyl)-2-(2-methyl-4-oxoquinazolin-3(4H)-yl)acetamide | - |
Mycobacterium tuberculosis |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Mycobacterium tuberculosis | P9WGR1 | - |
- |
Mycobacterium tuberculosis ATCC 25618 | P9WGR1 | - |
- |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
trans-2-decenoyl-CoA + NADH + H+ | - |
Mycobacterium tuberculosis | decanoyl-CoA + NAD+ | - |
? | |
trans-2-decenoyl-CoA + NADH + H+ | - |
Mycobacterium tuberculosis ATCC 25618 | decanoyl-CoA + NAD+ | - |
? |
Synonyms | Comment | Organism |
---|---|---|
enoyl acyl carrier protein reductase | - |
Mycobacterium tuberculosis |
InhA | - |
Mycobacterium tuberculosis |
Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
---|---|---|---|
25 | - |
assay at | Mycobacterium tuberculosis |
pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
---|---|---|---|
6.8 | - |
assay at | Mycobacterium tuberculosis |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.00312 | - |
pH 6.8, 25°C | Mycobacterium tuberculosis | 2-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-(furan-2-ylmethyl)acetamide | |
0.00312 | - |
pH 6.8, 25°C | Mycobacterium tuberculosis | 2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-phenylacetamide | |
0.00452 | - |
pH 6.8, 25°C | Mycobacterium tuberculosis | 2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-(furan-2-ylmethyl)acetamide | |
0.00456 | - |
pH 6.8, 25°C | Mycobacterium tuberculosis | 2-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide | |
0.00512 | - |
pH 6.8, 25°C | Mycobacterium tuberculosis | N-(6-nitrobenzo[d]thiazol-2-yl)-2-(4-oxoquinazolin-3(4H)-yl)acetamide | |
0.00601 | - |
pH 6.8, 25°C | Mycobacterium tuberculosis | 2-(2-methyl-4-oxoquinazolin-3(4H)-yl)-N-(thiophen-2-ylmethyl)acetamide | |
0.00616 | - |
pH 6.8, 25°C | Mycobacterium tuberculosis | 2-(2-methyl-4-oxoquinazolin-3(4H)-yl)-N-(6-nitrobenzo[d]thiazol-2-yl)acetamide | |
0.00676 | - |
pH 6.8, 25°C | Mycobacterium tuberculosis | 2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-(thiophen-2-ylmethyl)acetamide | |
0.00686 | - |
pH 6.8, 25°C | Mycobacterium tuberculosis | N-(furan-2-ylmethyl)-2-(2-methyl-4-oxoquinazolin-3(4H)-yl)acetamide | |
0.00712 | - |
pH 6.8, 25°C | Mycobacterium tuberculosis | 2-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-(thiophen-2-ylmethyl)acetamide | |
0.00716 | - |
pH 6.8, 25°C | Mycobacterium tuberculosis | 2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide | |
0.00778 | - |
pH 6.8, 25°C | Mycobacterium tuberculosis | 2-(6-chloro-4-oxoquinazolin-3(4H)-yl)-N-phenylacetamide | |
0.00816 | - |
pH 6.8, 25°C | Mycobacterium tuberculosis | N-(2-chloro-5-(trifluoromethyl)phenyl)-2-(4-oxoquinazolin-3(4H)-yl)acetamide | |
0.00836 | - |
pH 6.8, 25°C | Mycobacterium tuberculosis | N-(benzo[d]thiazol-2-yl)-2-(6-chloro-2-methyl-4-oxoquinazolin-3(4H)-yl)acetamide | |
0.00892 | - |
pH 6.8, 25°C | Mycobacterium tuberculosis | 2-(2-methyl-4-oxoquinazolin-3(4H)-yl)-N-phenylacetamide | |
0.00906 | - |
pH 6.8, 25°C | Mycobacterium tuberculosis | N-(2-chloro-5-(trifluoromethyl)phenyl)-2-(2-methyl-4-oxoquinazolin-3(4H)-yl)acetamide |