Allosteric modulation of SULT2A1 by celecoxib and nimesulide: Computational analyses
Document Type
Article
Date of Original Version
8-1-2008
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. © 2008 Bentham Science Publishers Ltd.
Publication Title, e.g., Journal
Drug Metabolism Letters
Volume
2
Issue
3
Citation/Publisher Attribution
Yalcin, Emine B., M. Struzik, and Roberta S. King. "Allosteric modulation of SULT2A1 by celecoxib and nimesulide: Computational analyses." Drug Metabolism Letters 2, 3 (2008): 198-204. doi: 10.2174/187231208785425755.
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