Letters in Drug Design & Discovery

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

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Classical and Fragment-Based Hologram Structure-Activity Relationships for a Series of Analgesic Cyclic Imides

Author(s): A. D. Andricopulo, D. M. Borchhardt, M. S. Castilho.

Abstract:

Cyclic imides have been widely employed in drug design research due to their multiple pharmacological and biological properties. In the present study, two-dimensional quantitative structure-activity relationship (2D QSAR) studies were conducted on a series of potent analgesic cyclic imides using both classical and hologram QSAR (HQSAR) methods, yielding significant statistical models (classical QSAR, q2 = 0.80; HQSAR, q2 = 0.84). The models were then used to evaluate an external data test, and the predicted values were in good agreement with the experimental results, indicating their consistency for untested compounds.

Keywords: Imides, Analgesics, Drug design, 2D QSAR, HQSAR

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Article Details

VOLUME: 5
ISSUE: 1
Year: 2008
Page: [57 - 64]
Pages: 8
DOI: 10.2174/157018008783406723