title: Crystal structure of thioflavin-T and its binding to amyloid fibrils: insights at the molecular level.
abstract: Combining X-ray data on thioflavin-T and theoretical calculations on its binding to a peptide model for Abeta(1-42) fibrils gives evidence of main stabilizing interactions, which influence the dihedral angle between the two moieties of thioflavin-T and thereby its fluorescence properties; these results shed new light on possible strategies for the design of dyes to bind amyloid fibrils more specifically.
authors.affiliation: Departament de Química, Universitat Autònoma de Barcelona, 08193 Bellaterra, Barcelona, Spain.
authors.forename: Cristina
authors.initials: C
authors.lastname: Rodríguez-Rodríguez
authors.forename: Albert
authors.initials: A
authors.lastname: Rimola
authors.forename: Luis
authors.initials: L
authors.lastname: Rodríguez-Santiago
authors.forename: Piero
authors.initials: P
authors.lastname: Ugliengo
authors.forename: Angel
authors.initials: A
authors.lastname: Alvarez-Larena
authors.forename: Hugo
authors.initials: H
authors.lastname: Gutiérrez-de-Terán
authors.forename: Mariona
authors.initials: M
authors.lastname: Sodupe
authors.forename: Pilar
authors.initials: P
authors.lastname: González-Duarte
mesh_terms: D016229:Amyloid beta-Peptides / Q000737:chemistry*; D052160:Benzothiazoles; D001665:Binding Sites; D018360:Crystallography, X-Ray; D005456:Fluorescent Dyes / Q000737:chemistry; D008968:Molecular Conformation; D010446:Peptide Fragments / Q000737:chemistry*; D011485:Protein Binding; D017433:Protein Structure, Secondary; D013844:Thiazoles / Q000737:chemistry*
chemical_list: D016229:Amyloid beta-Peptides; D052160:Benzothiazoles; D005456:Fluorescent Dyes; D010446:Peptide Fragments; D013844:Thiazoles; C075222:amyloid beta-protein (1-42); C009462:thioflavin T