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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

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

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Pickholz, Monica [1] ; Fraceto, Leonardo Fernandes [2, 1] ; de Paula, Eneida [1]
Total Authors: 3
[1] Univ Estadual Campinas, Dept Bioquim, Inst Biol, BR-13090170 Campinas, SP - Brazil
[2] Univ Estadual Paulista, Dept Engn Ambiental, Sorocaba, SP - Brazil
Total Affiliations: 2
Document type: Journal article
Source: Synthetic Metals; v. 159, n. 21-22, SI, p. 2157-2158, NOV 2009.
Web of Science Citations: 4

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)

FAPESP's process: 06/00121-9 - New formulations for the controlled release of local anesthetics in dentistry: from development to clinical tests
Grantee:Eneida de Paula
Support Opportunities: Research Projects - Thematic Grants
FAPESP's process: 06/02523-7 - Interaction of local anesthetics with biological membranes by molecular dynamics simulations
Grantee:Monica Andrea Pickholz
Support Opportunities: Research Grants - Young Investigators Grants