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dc.contributor.CRUESPUNIVERSIDADE DE ESTADUAL DE CAMPINASpt_BR
dc.typeArtigo de periódicopt_BR
dc.titleLiposome-prilocaine Interaction Mapping Evaluated Through Std Nmr And Molecular Dynamics Simulations.pt_BR
dc.contributor.authorCabeça, Luís Fpt_BR
dc.contributor.authorPickholz, Mónicapt_BR
dc.contributor.authorde Paula, Eneidapt_BR
dc.contributor.authorMarsaioli, Anita Jpt_BR
unicamp.authorLuís F Cabeça, Institute of Chemistry, UNICAMP, CP 6154, 13083-970 Campinas, SP, Brazil.pt_BR
unicamp.author.externalMónica Pickholz,pt
unicamp.author.externalEneida de Paula,pt
unicamp.author.externalAnita J Marsaioli,pt
dc.subjectAnesthetics, Localpt_BR
dc.subjectComputer Simulationpt_BR
dc.subjectHydrogen-ion Concentrationpt_BR
dc.subjectLipid Bilayerspt_BR
dc.subjectLiposomespt_BR
dc.subjectMagnetic Resonance Spectroscopypt_BR
dc.subjectPhosphatidylcholinespt_BR
dc.subjectPrilocainept_BR
dc.description.abstractWe have examined the interaction of the neutral and protonated species of the local anesthetic prilocaine (PLC) with phosphatidylcholine (PC) bilayers combining experimental ((1)H NMR) and theoretical (molecular dynamics simulations) approaches. DOSY experiments allowed the determination of the association constants of protonated (Ka = 9 L/mol) and neutral (Ka = 21 L/mol) PLC to egg PC liposomes. Saturation transfer difference (STD) experiments showed a different trend depending on pH: At high pH the PLC hydrogen saturation was essentially uniform and at pH 5.5 the experiments show an enhancement of the aromatic moiety hydrogen saturation, with respect to the tail. Molecular dynamics simulations, performed with PLC molecules on planar bilayers of palmitoyloleyl-PC, revealed a preferential orientation for the protonated PLC species at the polar interface of the bilayer, and a nonoriented and deeper insertion for neutral PLC. Such preferential location of protonated and neutral PLC inside the bilayer can be described as different transient sites which could modulate the access of these molecules to their binding site(s) in the voltage-gated sodium channel, justifying differences in the anesthetic's potency upon ionization.en
dc.relation.ispartofThe Journal Of Physical Chemistry. Bpt_BR
dc.relation.ispartofabbreviationJ Phys Chem Bpt_BR
dc.date.issued2009-Febpt_BR
dc.identifier.citationThe Journal Of Physical Chemistry. B. v. 113, n. 8, p. 2365-70, 2009-Feb.pt_BR
dc.language.isoengpt_BR
dc.description.volume113pt_BR
dc.description.firstpage2365-70pt_BR
dc.rightsfechadopt_BR
dc.sourcePubMedpt_BR
dc.identifier.issn1520-6106pt_BR
dc.identifier.doi10.1021/jp8069496pt_BR
dc.identifier.urlhttp://www.ncbi.nlm.nih.gov/pubmed/19183018pt_BR
dc.date.available2015-11-27T13:15:57Z-
dc.date.accessioned2015-11-27T13:15:57Z-
dc.description.provenanceMade available in DSpace on 2015-11-27T13:15:57Z (GMT). No. of bitstreams: 1 pmed_19183018.pdf: 1420486 bytes, checksum: 097d200dc1ba67bd5dde90ceb4218958 (MD5) Previous issue date: 2009en
dc.identifier.urihttp://repositorio.unicamp.br/jspui/handle/REPOSIP/198662-
dc.identifier.idPubmed19183018pt_BR
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