Table 2. Results of the In Vitro Pim-1 Inhibition Assay and Docking Interaction Energy.
| comp. no | IC50 (μM),a Pim-1 inhibition | docking interaction energy (kcal/mol), PDB ID: 2OBJ | docking interaction energy (kcal/mol), PDB ID: 2O64 |
|---|---|---|---|
| quercetagetin | 0.56 ± 0.03 | NTb | –14.53 |
| compound A | 0.93 ± 0.05 | –10.67 | NTb |
| 3a | 0.90 ± 0.04 | –11.68 | –11.60 |
| 3b | 0.85 ± 0.04 | –11.57 | –11.97 |
| 3c | 0.79 ± 0.04 | –11.16 | –11.80 |
| 3d | 0.72 ± 0.03 | –11.37 | –11.03 |
| 3e | 2.31 ± 0.11 | –11.48 | –11.08 |
| 4a | 1.24 ± 0.06 | –11.71 | –11.20 |
| 4b | 0.63 ± 0.03 | –11.64 | –11.81 |
| 4c | 0.61 ± 0.03 | –12.01 | –12.23 |
| 4d | 0.46 ± 0.02 | –12.04 | –12.43 |
| 4e | 1.42 ± 0.07 | –11.58 | –11.25 |
IC50 (μM): expressed as mean ± S.D.
NT: not tested.