A Quantitative Structure-Activity Relationship Study on Some Aryl Sulfonyl Amido and Ureido Derivatives Acting as Matrix Metalloproteinase and Clostridium histolyticum Collagenase Inhibitors

A quantitative structure-activity relationship (QSAR) study has been made on a series of aryl sulfonyl amido and ureido derivatives acting as matrix metalloproteinase (MMP) inhibitors. It is found that the inhibition potencies of the compounds against all the MMPs (MMP-1, MMP-2, MMP-8, and MMP-9) and a bacterial collagenase called Clostridium histolyticum collagenase (ChC) studied are significantly correlated with the electrotopological state indices of the sulfur and nitrogen atoms that are present, bonded to each other, in amido or ureido moiety. This study suggested the involvement of some electronic interactions between the compounds and some subsites of the enzymes.