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
Letters in Drug Design & Discovery
Title: Classical and Fragment-Based Hologram Structure-Activity Relationships for a Series of Analgesic Cyclic Imides
Volume: 5 Issue: 1
Author(s): A. D. Andricopulo, D. M. Borchhardt and M. S. Castilho
Affiliation:
Keywords: Imides, Analgesics, Drug design, 2D QSAR, HQSAR
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.
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Cite this article as:
Andricopulo D. A., Borchhardt M. D. and Castilho S. M., Classical and Fragment-Based Hologram Structure-Activity Relationships for a Series of Analgesic Cyclic Imides, Letters in Drug Design & Discovery 2008; 5 (1) . https://dx.doi.org/10.2174/157018008783406723
DOI https://dx.doi.org/10.2174/157018008783406723 |
Print ISSN 1570-1808 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-628X |
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