Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/80935
Type: Artigo de periódico
Title: Preferential location of prilocaine and etidocaine in phospholipid bilayers: A molecular dynamics study
Author: Pickholz, M
Fraceto, LF
de Paula, E
Abstract: In 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.
Subject: Molecular dynamics
Local anesthetics, Lipid membrane
Order parameter
Country: Suíça
Editor: Elsevier Science Sa
Rights: fechado
Identifier DOI: 10.1016/j.synthmet.2009.07.034
Date Issue: 2009
Appears in Collections:Unicamp - Artigos e Outros Documentos

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