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Título

Rational design of glycomimetic compounds targeting the Saccharomyces cerevisiae transglycosylase Gas2

AutorDelso, J. Ignacio; Valero-González, Jessika; Marca, Eduardo ; Tejero, Tomás ; Hurtado-Guerrero, Ramón; Merino, Pedro
Palabras claveTransglycosylase
Glycomimetics
STD-NMR
Docking
Carbohydrates
Fecha de publicación2016
EditorJohn Wiley & Sons
CitaciónChemical Biology and Drug Design 87(2): 163-170 (2016)
ResumenThe transglycosylase Saccharomyces cerevisiae Gas2 (ScGas2) belongs to a large family of enzymes that are key players in yeast cell wall remodeling. Despite its biological importance, no studies on the synthesis of substrate-based compounds as potential inhibitors have been reported. We have synthesized a series of docking-guided glycomimetics that were evaluated by fluorescence spectroscopy and saturation-transfer difference (STD) NMR experiments, revealing that a minimum of three glucose units linked via a β-(1,3) linkage are required for achieving molecular recognition at the binding donor site. The binding mode of our compounds is further supported by STD-NMR experiments using the active site-mutants Y107Q and Y244Q. Our results are important for both understanding of ScGas2-substrate interactions and setting up the basis for future design of glycomimetics as new antifungal agents.
Versión del editorhttp://dx.doi.org/10.1111/cbdd.12650
URIhttp://hdl.handle.net/10261/122610
DOI10.1111/cbdd.12650
ISSN1747-0277
E-ISSN1747-0285
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