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- Preferential location of prilocaine and etidocaine in phospholipid bilayers: A molecular dynamics study
- Universidade Estadual de Campinas (UNICAMP)
- Universidade Estadual Paulista (UNESP)
- Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
- FAPESP: 06/02523-7
- FAPESP: 06/00121-9
- 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.
- Synthetic Metals. Lausanne: Elsevier B.V. Sa, v. 159, n. 21-22, p. 2157-2158, 2009.
- Elsevier B.V. Sa
- Molecular dynamics
- Local anesthetics, Lipid membrane
- Order parameter
- Acesso restrito
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