dc.contributor | Universidade Estadual de Campinas (UNICAMP) | |
dc.contributor | Universidade Estadual Paulista (Unesp) | |
dc.date.accessioned | 2014-05-20T13:12:12Z | |
dc.date.available | 2014-05-20T13:12:12Z | |
dc.date.created | 2014-05-20T13:12:12Z | |
dc.date.issued | 2009-11-01 | |
dc.identifier | Synthetic Metals. Lausanne: Elsevier B.V. Sa, v. 159, n. 21-22, p. 2157-2158, 2009. | |
dc.identifier | 0379-6779 | |
dc.identifier | http://hdl.handle.net/11449/194 | |
dc.identifier | 10.1016/j.synthmet.2009.07.034 | |
dc.identifier | WOS:000273230900001 | |
dc.description.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. | |
dc.language | eng | |
dc.publisher | Elsevier B.V. Sa | |
dc.relation | Synthetic Metals | |
dc.relation | 2.526 | |
dc.relation | 0,672 | |
dc.rights | Acesso restrito | |
dc.source | Web of Science | |
dc.subject | Molecular dynamics | |
dc.subject | Local anesthetics, Lipid membrane | |
dc.subject | Order parameter | |
dc.title | Preferential location of prilocaine and etidocaine in phospholipid bilayers: A molecular dynamics study | |
dc.type | Artículos de revistas | |