Research Article
Amino Acid Derivatives as New Zinc Binding Groups for the Design of Selective Matrix Metalloproteinase Inhibitors
Table 7
Predicted and calculated binding energy (kcal) for sulfonamide ligands toward MMP-1, -8, and -9.
| Compound | MMP-1 | MMP-8 | MMP-9 | exp | calc | exp | calc | exp | 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 |
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