Preferential location of prilocaine and etidocaine in phospholipid bilayers: A molecular dynamics study
Loading...
Files
External sources
External sources
Date
Advisor
Coadvisor
Graduate program
Undergraduate course
Journal Title
Journal ISSN
Volume Title
Publisher
Elsevier B.V. Sa
Type
Article
Access right
Acesso restrito
Files
External sources
External sources
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.
Description
Keywords
Molecular dynamics, Local anesthetics, Lipid membrane, Order parameter
Language
English
Citation
Synthetic Metals. Lausanne: Elsevier B.V. Sa, v. 159, n. 21-22, p. 2157-2158, 2009.
