Molecular Basis for β-Glucosidase Inhibition by Ring-Modified Calystegine Analogues

7 páginas, 3 figuras, 2 tablas, 3 esquemasNeutral calystegine B2analogues, such as the 1-deoxy-6-oxa-N-(N′-octyl)thiocarbamoyl derivative, proved to be more potent β-glucosidase inhibitors than the natural alkaloid. Structural studies of the complex with a clan GH-A β-glucosidase from Thermotoga maritima showed a binding mode markedly different from that of the parent compound.We thank the Spanish Ministerio de Educación y Ciencia (contracts number CTQ2006-15515-C02-01/BQU and CTQ2007-61180/PPQ, and a doctoral fellowship to M.A.) and the Junta de Andalucía for financial support.Peer reviewe