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A single-residue substitution inhibits fibrillization of Ala-based pentapeptides. A spectroscopic and molecular dynamics investigation
Caruso, M.; Gatto, Emanuela; Placidi, E.; Venanzi, Mariano; Ballano Ballano, María Gema; Formaggio, Fernando; Toniolo, Claudio; Zanuy Gomara, David; Alemán Llansó, Carlos
Universitat Politècnica de Catalunya. Departament d'Enginyeria Química; Universitat Politècnica de Catalunya. IMEM - Innovació, Modelització i Enginyeria en (BIO) Materials
The aggregation properties of two Ala-based pentapeptides were investigated by spectroscopic techniques and molecular dynamics (MD) simulations. The two peptides, both functionalized at the N-terminus with a pyrenyl group, differ in the insertion of an alpha-aminoisobutyric acid residue at position 4. We showed that this single modification of the homo-peptide sequence inhibits the aggregation of the pentapeptide in aqueous solutions. Atomic force microscopy imaging revealed that the two peptides form mesoscopic aggregates of very different morphologies when deposited on mica. MD experiments showed that the two peptides have a very different propensity to form beta-pleated sheet structures, as confirmed by our spectroscopic measurements. The implications of these findings for our understanding of the mechanism leading to the formation of amyloid structures, primary responsible for numerous neurodegenerative diseases, are also discussed.
Peer Reviewed
Àrees temàtiques de la UPC::Enginyeria química
Peptides
Spectroscopic techniques
Molecular dynamics--Computer simulation
INFRARED CONFORMATIONAL-ANALYSIS
ALPHA-AMINOISOBUTYRIC-ACID
AMYLOID FIBRIL FORMATION
HOMO-L-OLIGOPEPTIDES
LINEAR OLIGOPEPTIDES
SOLID-STATE
PROLINE RESIDUE
THIOPHENE DIMER
BOUND ALANINE
PI-STACKING
Pèptids
Anàlisi espectral
Dinàmica molecular -- Simulació per ordinador
Attribution-NonCommercial-NoDerivs 3.0 Spain
http://creativecommons.org/licenses/by-nc-nd/3.0/es/
info:eu-repo/semantics/publishedVersion
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