- ISSN: 1872-3128
- E-ISSN: 1874-0758
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oa Allosteric Modulation of SULT2A1 by Celecoxib and Nimesulide: Computational Analyses
- Source: Drug Metabolism Letters, Volume 2, Issue 3, Aug 2008, p. 198 - 204
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- 01 Aug 2008
Abstract
We used protein-ligand docking and minimization to identify celecoxib as an allosteric modulator of SULT2A1-catalyzed estradiol sulfonation. Subsequent to celecoxib docking and complex minimization, conformational changes in SULT2A1 allowed estradiol docking to an alternative binding region with predicted preference for 17β-OH-E2 sulfonation over 3-OH-E2 sulfonation.
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