Table 3. Interaction of 4-hydroxy-2-pyridones with InhA.
Compound | Mtb MIC50 (μM) | InhA IC50 (μM) | Thermaflor assay (Tm °C) | ITC (+NADH) | |||||
---|---|---|---|---|---|---|---|---|---|
E-NAD+-I | E-NADH-I | ΔTm | Kd (μM) | ΔH (cal.mol-1) | ΔS (cal.mol-1) | N | |||
NITD-529 | 1.54 | 9.6±0.7 | 50.3 | 54.7 | 4.4 | 25 ± 7 | 13100 ± 4202 | -22.9 | 0.97 ± 0.23 |
NITD-564 | 0.16 | 0.59±0.05 | 56.3 | 57.8 | 1.5 | 0.56 ± 0.07 | 11440 ± 250 | -9.8 | 1.04 ± 0.02 |
NITD-916 | 0.05 | 0.57±0.04 | 55 | 56.3 | 1.3 | - | - | - | - |
NITD-560 | > 20 | > 20 | - | - | - | - | - | - | - |
NITD-716 | 2.67 | 4.3±0.5 | - | - | - | - | - | - | - |
NITD-526 | >20 | > 20 | - | - | - | - | - | - | - |
PT70a | 11a | <0.05a | 66.7 | 60.1 | -6.6 | - | - | - | - |
PT166b | 10.5b | <0.05b | 52.3 | 71.5 | 19.2 | - | - | - | - |