Dual binding modes: Combined empirical and computational studies of a series of compounds showed adenine and 1-benzyl-4-(dimethylamino)pyridinium fragments to function most efficiently in binding CHOKα1, and also determined how the latter fragment interacts with the choline binding site through two different binding modes. These data provide a basis for the future design of better and more selective inhibitors.
Determination of potential scaffolds for human choline kinase α1 by chemical deconvolution studies / SAHUN RONCERO, Maria; Rubio Ruíz, Belén; Conejo García, Ana; Velázquez Campoy, Adrián; Entrena, Antonio; Hurtado Guerrero, Ramon. - In: CHEMBIOCHEM. - ISSN 1439-4227. - ELETTRONICO. - 14:11(2013), pp. 1291-1295. [10.1002/cbic.201300195]
Determination of potential scaffolds for human choline kinase α1 by chemical deconvolution studies
SAHUN RONCERO, MARIA;
2013
Abstract
Dual binding modes: Combined empirical and computational studies of a series of compounds showed adenine and 1-benzyl-4-(dimethylamino)pyridinium fragments to function most efficiently in binding CHOKα1, and also determined how the latter fragment interacts with the choline binding site through two different binding modes. These data provide a basis for the future design of better and more selective inhibitors.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
