Author(s): Emine Bihter Yalcin, Scott M. Struzik and Roberta S. King
Page: [198 - 204] Pages: 7
* (Excluding Mailing and Handling)
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.
Keywords: Estradiol, sulfotransferase, allosteric, docking, metabolism, Autodock 4
