The interaction of local anesthetics with lipid membranes

被引：14

作者：

Zapata-Morin, Patricio A. ^{[1
]}

Sierra-Valdez, F. J. ^{[1
]}

Ruiz-Suarez, J. C. ^{[1
]}

机构：

[1] CINVESTAV Monterrey, PIIT, Monterrey 66600, Nuevo Leon, Mexico

来源：

JOURNAL OF MOLECULAR GRAPHICS & MODELLING | 2014年 / 53卷

关键词：

Molecular Dynamic Simulations; Lipid membrane; Local anesthetics; MOLECULAR-DYNAMICS SIMULATIONS; FREE-ENERGY; MECHANISMS; LIDOCAINE; HYDRATION; BILAYER; ENTROPIES; PRESSURE; ABSOLUTE; PACKING;

D O I：

10.1016/j.jmgm.2014.08.001

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

Molecular Dynamic Simulations are performed to evaluate the interaction of lidocaine, procaine and tetracaine with a lipid membrane. The main interest is to evaluate the structural changes produced by these local anesthetics in the bilayers. Penetration trajectories, interaction energies, entropy changes and an order parameter are calculated to quantify the destabilization of the lipid configurations. We show that such structural parameters give important information to understand how anesthetic agents influence the structure of plasma membranes. Graphic processing units (GPUs) are used in our simulations. (C) 2014 Elsevier Inc. All rights reserved.

引用

页码：200 / 205

页数：6

共 59 条

[1] HIGH-PRESSURE INFRARED STUDY OF PHOSPHATIDYLSERINE BILAYERS AND THEIR INTERACTIONS WITH THE LOCAL-ANESTHETIC TETRACAINE [J].

AUGER, M ;

SMITH, ICP ;

MANTSCH, HH ;

WONG, PTT .

BIOCHEMISTRY, 1990, 29 (08) :2008-2015

[2] Molecular dynamics simulations of a fluid bilayer of dipalmitoylphosphatidylcholine at full hydration, constant pressure, and constant temperature [J].

Berger, O ;

Edholm, O ;

Jahnig, F .

BIOPHYSICAL JOURNAL, 1997, 72 (05) :2002-2013

[3] Molecular dynamics study of biomembrane/local anesthetics interactions [J].

Bernardi, R. C. ;

Gomes, D. E. B. ;

Gobato, R. ;

Taft, C. A. ;

Ota, A. T. ;

Pascutti, P. G. .

MOLECULAR PHYSICS, 2009, 107 (14) :1437-1443

[4] MOLECULAR DETAILS OF ANESTHETIC-LIPID INTERACTION AS SEEN BY DEUTERIUM AND P-31 NUCLEAR MAGNETIC-RESONANCE [J].

BOULANGER, Y ;

SCHREIER, S ;

SMITH, ICP .

BIOCHEMISTRY, 1981, 20 (24) :6824-6830

[5] Multiple binding sites for the general anesthetic isoflurane identified in the nicotinic acetylcholine receptor transmembrane domain [J].

Brannigan, Grace ;

LeBard, David N. ;

Henin, Jerome ;

Eckenhoff, Roderic G. ;

Klein, Michael L. .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2010, 107 (32) :14122-14127

[6] MOLECULAR MECHANISMS OF LOCAL-ANESTHESIA - A REVIEW [J].

BUTTERWORTH, JF ;

STRICHARTZ, GR .

ANESTHESIOLOGY, 1990, 72 (04) :711-734

[7] The influence of membrane lateral pressures on simple geometric models of protein conformational equilibria [J].

Cantor, RS .

CHEMISTRY AND PHYSICS OF LIPIDS, 1999, 101 (01) :45-56

[8]

Eckenhoff R.G., 2011, MOL INTERV, V1, P258

[9] THE NOSE-HOOVER THERMOSTAT [J].

EVANS, DJ ;

HOLIAN, BL .

JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (08) :4069-4074

[10] Lessons of slicing membranes:: Interplay of packing, free area, and lateral diffusion in phospholipid/cholesterol bilayers [J].

Falck, E ;

Patra, M ;

Karttunen, M ;

Hyvönen, MT ;

Vattulainen, I .

BIOPHYSICAL JOURNAL, 2004, 87 (02) :1076-1091

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