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Int. J. Mol. Sci. 2006, 7(7), 220-229; doi:10.3390/i7070220
Article

Self-Organizing Molecular Field Analysis on a New Series of COX-2 Selective Inhibitors: 1,5-Diarylimidazoles

*  and
College of Science, Beijing University of Chemical technology, Beijing 100029, People’s Republic of China
* Author to whom correspondence should be addressed.
Received: 12 June 2006 / Accepted: 21 July 2006 / Published: 26 July 2006
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Abstract

Self-organizing molecular field analysis (SOMFA), a simple three-dimensionalquantitative structure–activity relationship (3D-QSAR) method is used to study the correlationbetween the molecular properties and the anti-inflammatory biological activities of a new series of1,5-Diarylimidazoles that act as selective COX-2 inhibitors. The statistical results, cross-validated rCV2 (0.507) and non cross-validated r2 (0.546), show a satisfied predictive ability.
Keywords: NSAID design; selective COX-2 inhibitors; 3D-QSAR; SOMFA. NSAID design; selective COX-2 inhibitors; 3D-QSAR; SOMFA.
This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).
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Li, S.; Zheng, Y. Self-Organizing Molecular Field Analysis on a New Series of COX-2 Selective Inhibitors: 1,5-Diarylimidazoles. Int. J. Mol. Sci. 2006, 7, 220-229.

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