Letters in Drug Design & Discovery

G. Perry
University of Texas
San Antonio, TX
USA
Email: lddd@benthamscience.org

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Comparative QSAR Studies on the Novel Series of Thiazolones and Tetrazole Derivatives as HCV NS5B Polymerase Allosteric Inhibitors

Author(s): Shalini Singh.

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

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Article Details

VOLUME: 6
ISSUE: 4
Year: 2009
Page: [286 - 297]
Pages: 12
DOI: 10.2174/157018009788452483
Price: $58