Table 3. Results of the In Vitro DHFR Inhibition Assay and Docking Interaction Energy.
| comp. no. | IC50 (μM)a DHFR inhibition | docking interaction energy (kcal/mol) |
|---|---|---|
| 4 | 5.00 ± 0.23 | –11.8926764 |
| 5a | 4.20 ± 0.20 | –13.0764761 |
| 5b | 4.10 ± 0.19 | –12.7614536 |
| 5c | 4.00 ± 0.18 | –13.6169386 |
| 6a | 5.56 ± 0.27 | –12.004714 |
| 6b | 6.45 ± 0.31 | –10.8985271 |
| 7 | 6.70 ± 0.31 | –11.0561876 |
| TMP | 5.54 ± 0.28 | –10.6276875 |
IC50 (μM): Expressed as mean ± SD.