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
	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