Pickholz, MonicaFraceto, Leonardo Fernandes [UNESP]de Paula, Eneida2014-05-202014-05-202009-11-01Synthetic Metals. Lausanne: Elsevier B.V. Sa, v. 159, n. 21-22, p. 2157-2158, 2009.0379-6779http://hdl.handle.net/11449/194In 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.2157-2158engMolecular dynamicsLocal anesthetics, Lipid membraneOrder parameterArtigo10.1016/j.synthmet.2009.07.034WOS:000273230900001Acesso restrito