Table 7.
Predicted and calculated binding energy (kcal) for sulfonamide ligands toward MMP-1, -8, and -9.
| Compound | MMP-1 | MMP-8 | MMP-9 | |||
|---|---|---|---|---|---|---|
| ΔG exp | ΔG calc | ΔG exp | ΔG calc | ΔG exp | ΔG calc | |
| 25a | −4.074 | −4.098 | −5.460 | −5.532 | −5.178 | −5.168 |
| 25d R | −4.224 | −4.247 | −6.870 | −6.504 | −6.705 | −6.840 |
| 25d S | −4.176 | −6.870 | −6.528 | |||
| 25e R | −4.524 | −4.527 | −4.740 | −4.365 | −5.042 | −4.970 |
| 25e S | −4.522 | −5.408 | −5.165 | |||