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Stereoselective interaction between the CYP2C8 inhibitor gemfibrozil and racemic ibuprofen

✍ Scribed by Aleksi Tornio; Mikko Niemi; Pertti J. Neuvonen; Janne T. Backman

Publisher: Springer
Year: 2007
Tongue: English
Weight: 185 KB
Volume: 63
Category: Article
ISSN: 0031-6970
DOI: 10.1007/s00228-007-0273-9

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## Abstract A computational investigation has been carried out on CYP2A6 and its naphthalene inhibitors to explore the crucial molecular features contributing to binding specificity. The molecular bioactive orientations were obtained by docking (FlexX) these compounds into the active site of the en