Crystallization (Comment) | Organism |
---|---|
molecular docking of inhibitors. The acylhydrazone and N-phenylbenzamide moieties can form stronger interactions by hydrogen bonds at the active site of the Escherichia coli pyruvated dehydrogenase complex E1 component compared with that of porcine E1 | Escherichia coli |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
N-(3-[(2E)-2-[(4-amino-2-methylpyrimidin-5-yl)methylidene]hydrazinecarbonyl]phenyl)-2-fluorobenzamide | 72-92% inhibition against Xanthomonas oryzae pv. Oryzae and Ralstonia solanacearum at 100 microg/ml | Escherichia coli | |
N-(3-[(2E)-2-[(4-amino-2-methylpyrimidin-5-yl)methylidene]hydrazinecarbonyl]phenyl)-4-bromobenzamide | negligible inhibition against porcine pyruzvate dehydrogenase complex, 72-92% inhibition against Xanthomonas oryzae pv. Oryzae and Ralstonia solanacearum at 100 microg/ml | Escherichia coli | |
N-(3-[(2E)-2-[(4-amino-2-methylpyrimidin-5-yl)methylidene]hydrazinecarbonyl]phenyl)-4-fluorobenzamide | 72-92% inhibition against Xanthomonas oryzae pv. Oryzae and Ralstonia solanacearum at 100 microg/ml | Escherichia coli | |
N-(3-[(2E)-2-[(4-amino-2-methylpyrimidin-5-yl)methylidene]hydrazinecarbonyl]phenyl)-4-methylbenzamide | negligible inhibition against porcine pyruzvate dehydrogenase complex | Escherichia coli | |
N-(3-[(2E)-2-[(4-amino-2-methylpyrimidin-5-yl)methylidene]hydrazinecarbonyl]phenyl)butanamide | 72-92% inhibition against Xanthomonas oryzae pv. Oryzae and Ralstonia solanacearum at 100 microg/ml | Escherichia coli | |
N-(4-[(2E)-2-[(4-amino-2-methylpyrimidin-5-yl)methylidene]hydrazinecarbonyl]phenyl)-4-bromobenzamide | negligible inhibition against porcine pyruzvate dehydrogenase complex | Escherichia coli | |
N-(4-[(2E)-2-[(4-amino-2-methylpyrimidin-5-yl)methylidene]hydrazinecarbonyl]phenyl)-N'-phenylurea | negligible inhibition against porcine pyruzvate dehydrogenase complex, 72-92% inhibition against Xanthomonas oryzae pv. Oryzae and Ralstonia solanacearum at 100 microg/ml | Escherichia coli |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Escherichia coli | P0AFG8 | AceE, E1 component, cf. EC 1.2.4.1 | - |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.00054 | - |
pH 6.4, 37°C | Escherichia coli | N-(4-[(2E)-2-[(4-amino-2-methylpyrimidin-5-yl)methylidene]hydrazinecarbonyl]phenyl)-N'-phenylurea | |
0.00062 | - |
pH 6.4, 37°C | Escherichia coli | N-(4-[(2E)-2-[(4-amino-2-methylpyrimidin-5-yl)methylidene]hydrazinecarbonyl]phenyl)-4-bromobenzamide | |
0.00066 | - |
pH 6.4, 37°C | Escherichia coli | N-(3-[(2E)-2-[(4-amino-2-methylpyrimidin-5-yl)methylidene]hydrazinecarbonyl]phenyl)-4-bromobenzamide | |
0.00191 | - |
pH 6.4, 37°C | Escherichia coli | N-(3-[(2E)-2-[(4-amino-2-methylpyrimidin-5-yl)methylidene]hydrazinecarbonyl]phenyl)-4-fluorobenzamide | |
0.00237 | - |
pH 6.4, 37°C | Escherichia coli | N-(3-[(2E)-2-[(4-amino-2-methylpyrimidin-5-yl)methylidene]hydrazinecarbonyl]phenyl)-2-fluorobenzamide | |
0.00285 | - |
pH 6.4, 37°C | Escherichia coli | N-(3-[(2E)-2-[(4-amino-2-methylpyrimidin-5-yl)methylidene]hydrazinecarbonyl]phenyl)-4-methylbenzamide | |
0.00469 | - |
pH 6.4, 37°C | Escherichia coli | N-(3-[(2E)-2-[(4-amino-2-methylpyrimidin-5-yl)methylidene]hydrazinecarbonyl]phenyl)butanamide |