Crystallization (Comment) | Organism |
---|---|
molecular docking of inhibitors 4-methoxy-2-(pyridin-4-yl)-2,3-dihydro-1,3-thiazole-5-carboxylic acid, 2-phenyl-4-(prop-2-yn-1-yloxy)-2,3-dihydro-1,3-thiazole-5-carboxylic acid, 4-ethoxy-2-phenyl-2,3-dihydro-1,3-thiazole-5-carboxamide. Ligands are found in the vicinity of the Arg422, Gln274, Lys300, Arg170, Phe167, Glu243 amino acid residues. Compounds can make favourable interactions with important amino acid residues such as Arg170, Arg440, and Lys300 | Mycobacterium tuberculosis |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
2-phenyl-4-(prop-2-yn-1-yloxy)-2,3-dihydro-1,3-thiazole-5-carboxylic acid | - |
Mycobacterium tuberculosis | |
4-ethoxy-2-phenyl-2,3-dihydro-1,3-thiazole-5-carboxamide | protein is stabilzed in presence of the inhibitor | Mycobacterium tuberculosis | |
4-methoxy-2-(pyridin-4-yl)-2,3-dihydro-1,3-thiazole-5-carboxylic acid | at 0.05 mM, 24.87% cytotoxicity in a HEK-293 cell line | Mycobacterium tuberculosis |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Mycobacterium tuberculosis | P9WQ77 | - |
- |
Mycobacterium tuberculosis H37Rv | P9WQ77 | - |
- |
Temperature Stability Minimum [°C] | Temperature Stability Maximum [°C] | Comment | Organism |
---|---|---|---|
50.6 | - |
melting temperature | Mycobacterium tuberculosis |
52.1 | - |
melting temperature in presence of inhibitor 4-ethoxy-2-phenyl-2,3-dihydro-1,3-thiazole-5-carboxamide | Mycobacterium tuberculosis |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.0012 | - |
pH 7.2, 37°C | Mycobacterium tuberculosis | 4-methoxy-2-(pyridin-4-yl)-2,3-dihydro-1,3-thiazole-5-carboxylic acid | |
0.0017 | - |
pH 7.2, 37°C | Mycobacterium tuberculosis | 4-ethoxy-2-phenyl-2,3-dihydro-1,3-thiazole-5-carboxamide | |
0.0018 | - |
pH 7.2, 37°C | Mycobacterium tuberculosis | 2-phenyl-4-(prop-2-yn-1-yloxy)-2,3-dihydro-1,3-thiazole-5-carboxylic acid |