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. 2013 Mar 10;2013:178381. doi: 10.1155/2013/178381

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