Abstract
This paper describes the comparative QSAR studies on the novel series of thiazolones and tetrazole derivatives as HCV NS5B polymerase allosteric inhibitors, using PRECLAV and DRAGON descriptors. The statistical analyses using the PRECLAV software showed that the model based on both DRAGON and PRECLAV descriptors (r2=0.8929, Se=0.1141, F=35.0183, r2cv=0.8199) is better than the one using either PRECLAV descriptors (r2=0.75, Se=0.1743, F=16.5022, r2cv=0.5691) or DRAGON descriptors (r2=0.7387, Se=0.1782, F=11.8759, r2cv= 0.596). The results are critically discussed using Ridge statistics.
Keywords: QSAR, HCVNS5B inhibitor, Thiazolones, Tetrazole, DRAGON, PRECLAV
Letters in Drug Design & Discovery
Title: Comparative QSAR Studies on the Novel Series of Thiazolones and Tetrazole Derivatives as HCV NS5B Polymerase Allosteric Inhibitors
Volume: 6 Issue: 4
Author(s): Shalini Singh
Affiliation:
Keywords: QSAR, HCVNS5B inhibitor, Thiazolones, Tetrazole, DRAGON, PRECLAV
Abstract: This paper describes the comparative QSAR studies on the novel series of thiazolones and tetrazole derivatives as HCV NS5B polymerase allosteric inhibitors, using PRECLAV and DRAGON descriptors. The statistical analyses using the PRECLAV software showed that the model based on both DRAGON and PRECLAV descriptors (r2=0.8929, Se=0.1141, F=35.0183, r2cv=0.8199) is better than the one using either PRECLAV descriptors (r2=0.75, Se=0.1743, F=16.5022, r2cv=0.5691) or DRAGON descriptors (r2=0.7387, Se=0.1782, F=11.8759, r2cv= 0.596). The results are critically discussed using Ridge statistics.
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Cite this article as:
Singh Shalini, Comparative QSAR Studies on the Novel Series of Thiazolones and Tetrazole Derivatives as HCV NS5B Polymerase Allosteric Inhibitors, Letters in Drug Design & Discovery 2009; 6 (4) . https://dx.doi.org/10.2174/157018009788452483
DOI https://dx.doi.org/10.2174/157018009788452483 |
Print ISSN 1570-1808 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-628X |
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