Table 1.
Docking results of compounds 4a–4k, as well as their activities against MtbTMPK and avirulent M. tuberculosis.
 | ||||
|---|---|---|---|---|
| Compound | R | Docking score | IC50MtbTMPK (μM) | MIC50 H37Ra (μM)a |
| 4a | 3-N(CH3)2 | −8.5 | 39 ± 3 | >64 |
| 4b | 3-OCH3 | −8.5 | 15 ± 1 | >64 |
| 4c | 4-Cl | −8.8 | 39 ± 19 | >64 |
| 4d | 4-F | −8.8 | 18 ± 1 | >64 |
| 4e | 4-NO2 | −9.0 | 30 ± 3 | >64 |
| 4f | 3-CF3 | −9.2 | 53 ± 12 | >64 |
| 4g | 3,4-Cl2 | −8.8 | 18 ± 1 | 35.8 |
| 4h | 3,4-F2 | −8.8 | 23 ± 1 | >64 |
| 4i | 3,5-Cl2 | −8.7 | 13 ± 1 | >64 |
| 4j | 3,5-F2 | −8.8 | 31 ± 2 | >64 |
| 4k | 3,5-(CF3)2 | −8.2 | 158 ± 89 | >64 |
| 3 | — | −8.7 | 28 ± 2 | >64 |
a
Compounds were tested on H37Ra strain, measured as the half-maximal inhibitory concentration (MIC50). Using the plot of the % viability as a function of compound concentration, MIC50 values were determined.