Title

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

Drug Metabolism Letters

Volume

2

Issue

3

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