Abstract
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 Kiers first-order valence molecular connectivity index (1xv) and Hammetts electronic constant 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
Keywords: Quantitative structure-activity relationship, Matrix metalloproteinase inhibitors, Hydroxamic acids
Letters in Drug Design & Discovery
Title: A Quantitative Structure-Activity Relationship Study on a Novel Series of Hydroxamic Acid Analogs Acting as Matrix Metalloproteinase Inhibitors
Volume: 5 Issue: 4
Author(s): S. P. Gupta, Priyanka Bagaria and V. S.A. Kumar Satuluri
Affiliation:
Keywords: Quantitative structure-activity relationship, Matrix metalloproteinase inhibitors, Hydroxamic acids
Abstract: 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 Kiers first-order valence molecular connectivity index (1xv) and Hammetts electronic constant 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
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Gupta P. S., Bagaria Priyanka and Kumar Satuluri S.A. V., A Quantitative Structure-Activity Relationship Study on a Novel Series of Hydroxamic Acid Analogs Acting as Matrix Metalloproteinase Inhibitors, Letters in Drug Design & Discovery 2008; 5 (4) . https://dx.doi.org/10.2174/157018008784619852
DOI https://dx.doi.org/10.2174/157018008784619852 |
Print ISSN 1570-1808 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-628X |
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