Study of procaine and tetracaine in the lipid bilayer using molecular dynamics simulation.

Jalili, Seifollah; Saeedi, Marzieh

Jalili, Seifollah; Saeedi, Marzieh.

Affiliation

Jalili S; Department of Chemistry, K. N. Toosi University of Technology, Tehran, P.O. Box 15875-4416, Iran. sjalili@kntu.ac.ir.
Saeedi M; Computational Physical Sciences Research Laboratory, School of Nano-Science, Institute for Research in Fundamental Sciences (IPM), Tehran, P.O. Box 19395-5531, Iran. sjalili@kntu.ac.ir.

Eur Biophys J ; 46(3): 265-282, 2017 Apr.

Article in En | MEDLINE | ID: mdl-27557558

Subject(s)

Anesthetics, Local/metabolism; Anesthetics, Local/pharmacology; Lipid Bilayers/metabolism; Procaine/metabolism; Procaine/pharmacology; Tetracaine/metabolism; Tetracaine/pharmacology; Anesthetics, Local/chemistry; Cell Membrane/chemistry; Cell Membrane/drug effects; Cell Membrane/metabolism; Diffusion; Dimyristoylphosphatidylcholine/metabolism; Lipid Bilayers/chemistry; Molecular Conformation; Molecular Dynamics Simulation; Procaine/chemistry; Tetracaine/chemistry; Thermodynamics

Key words

DMPC membrane; Drug-membrane interaction; Expanded ensemble simulation; Local anesthetics; Molecular dynamics simulation; Solvation free energy

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Procaine / Tetracaine / Anesthetics, Local / Lipid Bilayers Language: En Journal: Eur Biophys J Journal subject: BIOFISICA Year: 2017 Document type: Article Affiliation country: Iran Country of publication: Germany

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