Preferential location of prilocaine and etidocaine in phospholipid bilayers: A molecular dynamics study

Autor(es)

Pickholz, Monica ; Fraceto, Leonardo Fernandes ; de Paula, Eneida

• Tipo de documento: Artigo Científico
• Fonte: Synthetic Metals; v. 159, n. 21-22, p. 2-pg., 2009-11-01.

Resumo

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. (AU)

• Processo FAPESP: 06/02523-7 - Estudo da interação de anestésicos locais com biomembranas por simulações computacionais
• Beneficiário: Monica Andrea Pickholz
• Modalidade de apoio: Auxílio à Pesquisa - Jovens Pesquisadores
• Processo FAPESP: 06/00121-9 - Novas formulações de anestésicos locais de liberação controlada: do desenvolvimento ao teste clínico odontológico
• Beneficiário: Eneida de Paula
• Modalidade de apoio: Auxílio à Pesquisa - Temático