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dc.contributor.authorTriguero Enguídanos, Jordi
dc.contributor.authorZanuy Gomara, David
dc.contributor.authorAlemán Llansó, Carlos
dc.contributor.otherUniversitat Politècnica de Catalunya. Departament d'Enginyeria Química
dc.date.accessioned2017-05-10T11:23:44Z
dc.date.issued2017-02-01
dc.identifier.citationTriguero, J., Zanuy, D., Aleman, C. Conformational analysis of a modified RGD adhesive sequence. "Journal of peptide science", 1 Febrer 2017, vol. 23, núm. 2, p. 172-181.
dc.identifier.issn1075-2617
dc.identifier.urihttp://hdl.handle.net/2117/104265
dc.description.abstractThe conformational preferences of the Arg-GlE-Asp sequence, where GlE is an engineered amino acid bearing a 3,4-ethylenedioxythiophene (EDOT) ring as side group, have been determined combining density functional theory calculations with a well-established conformational search strategy. Although the Arg-GlE-Asp sequence was designed to prepare a conducting polymer–peptide conjugate with excellent electrochemical and bioadhesive properties, the behavior of such hybrid material as adhesive biointerface is improvable. Results obtained in this work prove that the bioactive characteristics of the parent Arg-Gly-Asp sequence become unstable in Arg-GlE-Asp because of both the steric hindrance caused by the EDOT side group and the repulsive interactions between the oxygen atoms belonging to the backbone amide groups and the EDOT side group. Detailed analyses of the conformational preferences identified in this work have been used to re-engineer the Arg-GlE-Asp sequence for the future development of a new electroactive conjugate with improved bioadhesive properties. The preparation of this new conjugate is in progress.
dc.format.extent10 p.
dc.language.isoeng
dc.rightsAttribution-NonCommercial-NoDerivs 3.0 Spain
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/es/
dc.subjectÀrees temàtiques de la UPC::Enginyeria química
dc.subject.lcshPeptides
dc.subject.lcshPolymers in medicine
dc.subject.otheradhesive peptides
dc.subject.otherbioactive conformation
dc.subject.otherconformational search
dc.subject.otherconjugate
dc.subject.other3
dc.subject.other4-ethylenedioxythiophene
dc.subject.othermolecular engineering
dc.subject.otherpolymer-peptide
dc.titleConformational analysis of a modified RGD adhesive sequence
dc.typeArticle
dc.subject.lemacBiopolímers
dc.subject.lemacPèptids
dc.subject.lemacAdhesius
dc.contributor.groupUniversitat Politècnica de Catalunya. IMEM - Innovació, Modelització i Enginyeria en (BIO) Materials
dc.identifier.doi10.1002/psc.2937
dc.description.peerreviewedPeer Reviewed
dc.relation.publisherversionhttp://onlinelibrary.wiley.com/doi/10.1002/psc.2937/abstract
dc.rights.accessRestricted access - publisher's policy
local.identifier.drac20096801
dc.description.versionPostprint (author's final draft)
dc.date.lift10000-01-01
local.citation.authorTriguero, J.; Zanuy, D.; Aleman, C.
local.citation.publicationNameJournal of peptide science
local.citation.volume23
local.citation.number2
local.citation.startingPage172
local.citation.endingPage181


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