| Full text | |
| Author(s): |
Pickholz, Monica
;
Fraceto, Leonardo Fernandes
;
de Paula, Eneida
Total Authors: 3
|
| Document type: | Journal article |
| Source: | Synthetic Metals; v. 159, n. 21-22, p. 2-pg., 2009-11-01. |
| 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. (AU) | |
| 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 |
| 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 |