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Self-Assembly of a Designed Amyloid Peptide Containing the Functional Thienylalanine Unit
dc.contributor.author | Zanuy Gomara, David |
dc.contributor.author | Revilla López, Guillermo |
dc.contributor.author | Hamley, I. W. |
dc.contributor.author | Brown, Gordon D.A. |
dc.contributor.author | Castelletto, V. |
dc.contributor.author | Cheng, G. |
dc.contributor.author | Venanzi, M. |
dc.contributor.author | Caruso, M. |
dc.contributor.author | Placidi, E. |
dc.contributor.author | Alemán Llansó, Carlos |
dc.contributor.other | Universitat Politècnica de Catalunya. Departament d'Enginyeria Química |
dc.date.accessioned | 2010-11-09T17:50:33Z |
dc.date.available | 2010-11-09T17:50:33Z |
dc.date.created | 2010-08-19 |
dc.date.issued | 2010-08-19 |
dc.identifier.citation | Hamley, . [et al.]. Self-Assembly of a Designed Amyloid Peptide Containing the Functional Thienylalanine Unit. "Journal of physical chemistry B", 19 Agost 2010, vol. 114, núm. 32, p. 10674-10683. |
dc.identifier.issn | 1520-6106 |
dc.identifier.uri | http://hdl.handle.net/2117/10229 |
dc.description.abstract | The self-assembly of a peptide based on a sequence from the amyloid peptide but incorporating the nonnatural amino acid -2-thienylalanine (2-Thi) has been investigated in aqueous and methanol solutions. The peptide AAKLVFF was used as a design motif, replacing the phenylalanine residues (F) with 2-Thi units to yield (2-Thi)(2-Thi)VLKAA. The 2-Thi residues are expected to confer interesting electronic properties due to charge delocalization and π-stacking. The peptide is shown to form -sheet-rich amyloid fibrils with a twisted morphology, in both water and methanol solutions at sufficiently high concentration. The formation of a self-assembling hydrogel is observed at high concentration. Detailed molecular modeling using molecular dynamics methods was performed using NOE constraints provided by 2D-NMR experiments. The conformational and charge properties of 2-Thi were modeled using quantum mechanical methods, and found to be similar to those previously reported for the -3-thienylalanine analogue. The molecular dynamics simulations reveal well-defined folded structures (turn-like) in dilute aqueous solution, driven by self-assembly of the hydrophobic aromatic units, with charged lysine groups exposed to water. |
dc.format.extent | 10 p. |
dc.language.iso | eng |
dc.rights | Attribution-NonCommercial-NoDerivs 3.0 Spain |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/3.0/es/ |
dc.subject | Àrees temàtiques de la UPC::Enginyeria química |
dc.subject | Àrees temàtiques de la UPC::Energies |
dc.subject.lcsh | Chemical engineering |
dc.title | Self-Assembly of a Designed Amyloid Peptide Containing the Functional Thienylalanine Unit |
dc.type | Article |
dc.subject.lemac | Bioquímica |
dc.contributor.group | Universitat Politècnica de Catalunya. IMEM - Innovació, Modelització i Enginyeria en (BIO) Materials |
dc.identifier.doi | 10.1021/jp105508g |
dc.description.peerreviewed | Peer Reviewed |
dc.relation.publisherversion | http://www.ncbi.nlm.nih.gov/pubmed/20662537 |
dc.rights.access | Restricted access - publisher's policy |
local.identifier.drac | 2747451 |
dc.description.version | Postprint (published version) |
local.citation.author | Hamley, .; Brown, G.; Castelletto, V.; Cheng, G.; Venanzi, M.; Caruso, M.; Placidi, E.; Alemán, C.; Revilla-López, G.; Zanuy, D. |
local.citation.publicationName | Journal of physical chemistry B |
local.citation.volume | 114 |
local.citation.number | 32 |
local.citation.startingPage | 10674 |
local.citation.endingPage | 10683 |
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