A Quantitative Structure-Activity Relationship Study on a Novel Series of Hydroxamic Acid Analogs Acting as Matrix Metalloproteinase Inhibitors

A Quantitative structure-activity relationship study (QSAR) has been made on a novel series of hydroxamic acid-based matrix metalloproteinase (MMP) inhibitors. The inhibition potencies of the compounds against two MMPs, MMP-2 and MMP-3, are found to be significantly correlated with Kier's first-order valence molecular connectivity index (1xv) and Hammett's electronic constant σ of the substituents. It is thus found that in addition to zinc-binding group of inhibitors interacting with the zinc ion present in the MMPs, some other groups also in the molecules may have some sorts of physicochemical interactions with the sub-sites of MMPs