title: The interaction of local anesthetics with lipid membranes.
abstract: 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.
authors.affiliation: CINVESTAV-Monterrey, PIIT, Nuevo León 66600, Mexico.
authors.forename: Patricio A
authors.initials: PA
authors.lastname: Zapata-Morin
authors.affiliation: CINVESTAV-Monterrey, PIIT, Nuevo León 66600, Mexico.
authors.forename: F J
authors.initials: FJ
authors.lastname: Sierra-Valdez
authors.affiliation: CINVESTAV-Monterrey, PIIT, Nuevo León 66600, Mexico. Electronic address: jcrs.mty@gmail.com.
authors.forename: J C
authors.initials: JC
authors.lastname: Ruiz-Suárez
mesh_terms: D015060:1,2-Dipalmitoylphosphatidylcholine / Q000031:analogs & derivatives* / Q000737:chemistry; D000779:Anesthetics, Local / Q000737:chemistry*; D019277:Entropy; D008012:Lidocaine / Q000737:chemistry*; D008051:Lipid Bilayers / Q000737:chemistry; D008968:Molecular Conformation; D056004:Molecular Dynamics Simulation; D011343:Procaine / Q000737:chemistry*; D013748:Tetracaine / Q000737:chemistry*
chemical_list: D000779:Anesthetics, Local; D008051:Lipid Bilayers; D013748:Tetracaine; D015060:1,2-Dipalmitoylphosphatidylcholine; C081581:colfosceril palmitate; D011343:Procaine; D008012:Lidocaine
keywords: Lipid membrane; Local anesthetics; Molecular Dynamic Simulations