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ID: ALA1136708
Journal: Bioorg Med Chem Lett
Title: Structure-based design of inhibitors of human L-xylulose reductase modelled into the active site of the enzyme.
Authors: Carbone V, Darmanin C, Ishikura S, Hara A, El-Kabbani O.
Abstract: The program GRID was used to design potential inhibitors of human L-xylulose reductase based on a model of the holoenzyme in complex with n-butyric acid. The inclusion of phosphate or carboxylate functional groups in the ligand suggested an increase in the net binding energy of the complex up to 2.8- and 4.0-fold, respectively. This study may be useful in the development of potent and specific inhibitors of the enzyme.
CiteXplore: 12668014