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Qsar Study of Anthranilic Acid Sulfonamides As Inhibitors of Methionine Aminopeptidase-2 Using Ls-Svm and Grnn Based on Principal Components Publisher Pubmed



Shahlaei M1, 2 ; Sabet R2 ; Ziari MB3 ; Moeinifard B3 ; Fassihi A2, 4 ; Karbakhsh R5
Authors
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Authors Affiliations
  1. 1. Department of Medicinal Chemistry, Faculty of Pharmacy, Kermanshah University of Medical Sciences, Kermanshah, Iran
  2. 2. Department of Medicinal Chemistry, Faculty of Pharmacy, Isfahan University of Medical Sciences, Hezar Jerid, Isfahan 81746-73461, Iran
  3. 3. Department of Chemistry, Islamic Azad University, Shahreza Branch, Shahreza, Iran
  4. 4. Isfahan Pharmaceutical Sciences Research Center, Isfahan 81746-73461, Iran
  5. 5. Department of Chemistry, Science and Research Branch, Islamic Azad University, 755/14515, Tehran, Iran

Source: European Journal of Medicinal Chemistry Published:2010


Abstract

Quantitative relationships between molecular structure and methionine aminopeptidase-2 inhibitory activity of a series of cytotoxic anthranilic acid sulfonamide derivatives were discovered. We have demonstrated the detailed application of two efficient nonlinear methods for evaluation of quantitative structure-activity relationships of the studied compounds. Components produced by principal component analysis as input of developed nonlinear models were used. The performance of the developed models namely PC-GRNN and PC-LS-SVM were tested by several validation methods. The resulted PC-LS-SVM model had a high statistical quality (R2=0.91 and RCV2=0.81) for predicting the cytotoxic activity of the compounds. Comparison between predictability of PC-GRNN and PC-LS-SVM indicates that later method has higher ability to predict the activity of the studied molecules. © 2010 Elsevier Masson SAS. All rights reserved.
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