Table of Contents
ISRN Medicinal Chemistry
Volume 2013 (2013), Article ID 107840, 8 pages
Research Article

Sulfonamide Based β-Carbonic Anhydrase Inhibitors: 2D QSAR Study

Department of Chemistry, PDEA’s S. G. R. S. College of Pharmacy, University of Pune, Pune 412203, India

Received 14 August 2013; Accepted 10 October 2013

Academic Editors: A. Afantitis, R. Giridhar, and S. Rivara

Copyright © 2013 Meenakshi N. Deodhar et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


The carbonic anhydrases (CAs) (or carbonate dehydratases) form a family of metalloenzymes that catalyze the rapid interconversion of carbon dioxide and water to bicarbonate and protons (or vice versa), a reversible reaction that occurs rather slowly in the absence of a catalyst. The β-CAs have been characterized in a high number of human pathogens, such as the fungi/yeasts Candida albicans, Candida glabrata, Cryptococcus neoformans, and Saccharomyces cerevisiae and the bacteria Helicobacter pylori, Mycobacterium tuberculosis, Haemophilus influenzae, Brucella suis, and Streptococcus pneumonia. The β-CAs in microorganisms provide physiological concentration of carbon dioxide and bicarbonate (CO2/ ) for their growth. Inhibition of β-CAs from the pathogenic microorganism is recently being explored as a novel pharmacological target to treat infections caused by the these organisms. The present study aimed to establish a relationship between the β-CAs inhibitory activity for structurally related sulphonamide derivatives and the physicochemical descriptors in quantitative terms. The statistically validated two-dimensional quantitative structure activity relationship (2D QSAR) model was obtained through multiple linear regression (MLR) analysis method using Vlife molecular design suits (MDS). Five descriptors showing positive and negative correlation with the β-CAs inhibitory activity have been included in the model. This validated 2D QSAR model may be used to design sulfonamide derivatives with better inhibitory properties.