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Literature DB >> 19356094

Allosteric modulation of SULT2A1 by celecoxib and nimesulide: computational analyses.

Emine Bihter Yalcin¹, Scott M Struzik, Roberta S King.

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 17beta-OH-E(2) sulfonation over 3-OH-E(2) sulfonation.

Entities: Chemical Disease Gene Species

Mesh：

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Year: 2008 PMID： 19356094 PMCID： PMC2995289 DOI： 10.2174/187231208785425755

Source DB: PubMed Journal: Drug Metab Lett ISSN： 1872-3128

23 in total

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3 in total

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3. Celecoxib influences steroid sulfonation catalyzed by human recombinant sulfotransferase 2A1.

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3 in total