Next Article in Journal
"Int. J. Mol. Sci. 2006, 7, 131-154" is republished as "Int. J. Mol. Sci. 2006, 7, 231-254"
Previous Article in Journal
Epigallocatechin-3-Gallate Ameliorates Alcohol-Induced Liver Injury in Rats
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
Download PDF [266 KB, uploaded 19 June 2014]

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 which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Share & Cite This Article

Export to BibTeX |
EndNote


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.

View more citation formats

Related Articles

Article Metrics

Comments

Citing Articles

[Return to top]
Int. J. Mol. Sci. EISSN 1422-0067 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert