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

doi:10.3390/i7070220

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

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

Shunlai Li * and Yan Zheng

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 r_CV² (0.507) and non cross-validated r² (0.546), show a satisfied predictive ability.

Keywords: NSAID design; selective COX-2 inhibitors; 3D-QSAR; SOMFA.

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MDPI and ACS Style

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.

AMA Style

Li S., Zheng Y. Self-Organizing Molecular Field Analysis on a New Series of COX-2 Selective Inhibitors: 1,5-Diarylimidazoles. International Journal of Molecular Sciences. 2006; 7(7):220-229.

Chicago/Turabian Style

Li, Shunlai; Zheng, Yan. 2006. "Self-Organizing Molecular Field Analysis on a New Series of COX-2 Selective Inhibitors: 1,5-Diarylimidazoles." Int. J. Mol. Sci. 7, no. 7: 220-229.

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