Preferential location of prilocaine and etidocaine in phospholipid bilayers: A molecular dynamics study

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dc.contributor.authorPickholz, Monica
dc.contributor.authorFraceto, Leonardo Fernandes [UNESP]
dc.contributor.authorde Paula, Eneida
dc.contributor.institutionUniversidade Estadual de Campinas (UNICAMP)
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.date.accessioned2014-05-20T13:12:12Z
dc.date.available2014-05-20T13:12:12Z
dc.date.issued2009-11-01
dc.description.abstractIn this work, we report a 20-ns constant pressure molecular dynamics simulation of the uncharged form of two amino-amide local anesthetics (LA). etidocaine and prilocaine, present at 1:3 LA:lipid, molar ratio inside the membrane, in the hydrated liquid crystal bilayer phase of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphatidylcholine (POPC). Both LAs induced lateral expansion and a concomitant contraction in the bilayer thickness. A decrease in the acyl chain segment order parameter, -S(CD), compared to neat bilayers, was also observed. Besides, both LA molecules got preferentially located in the hydrophobic acyl chains region, with a maximum probability at similar to 12 and similar to 10 angstrom from the center of the bilayer for prilocaine and etidocaine, respectively. (C) 2009 Elsevier B.V. All rights reserved.en
dc.description.affiliationUniv Estadual Campinas, Dept Bioquim, Inst Biol, BR-13090170 Campinas, SP, Brazil
dc.description.affiliationUniv Estadual Paulista, Dept Engn Ambiental, Sorocaba, SP, Brazil
dc.description.affiliationUnespUniv Estadual Paulista, Dept Engn Ambiental, Sorocaba, SP, Brazil
dc.description.sponsorshipFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.description.sponsorshipIdFAPESP: 06/02523-7
dc.description.sponsorshipIdFAPESP: 06/00121-9
dc.format.extent2157-2158
dc.identifierhttp://dx.doi.org/10.1016/j.synthmet.2009.07.034
dc.identifier.citationSynthetic Metals. Lausanne: Elsevier B.V. Sa, v. 159, n. 21-22, p. 2157-2158, 2009.
dc.identifier.doi10.1016/j.synthmet.2009.07.034
dc.identifier.issn0379-6779
dc.identifier.urihttp://hdl.handle.net/11449/194
dc.identifier.wosWOS:000273230900001
dc.language.isoeng
dc.publisherElsevier B.V. Sa
dc.relation.ispartofSynthetic Metals
dc.relation.ispartofjcr2.526
dc.relation.ispartofsjr0,672
dc.rights.accessRightsAcesso restrito
dc.sourceWeb of Science
dc.subjectMolecular dynamicsen
dc.subjectLocal anesthetics, Lipid membraneen
dc.subjectOrder parameteren
dc.titlePreferential location of prilocaine and etidocaine in phospholipid bilayers: A molecular dynamics studyen
dc.typeArtigo
dcterms.licensehttp://www.elsevier.com/about/open-access/open-access-policies/article-posting-policy
dcterms.rightsHolderElsevier B.V. Sa
unesp.author.orcid0000-0002-2827-2038[2]
unesp.campusUniversidade Estadual Paulista (Unesp), Instituto de Ciência e Tecnologia, Sorocabapt

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Artigos - Engenharia Ambiental - Sorocaba