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The Influence of Ions in the Interaction of Methylene Blue with DPPC Membranes

Authors:
Ronei Miotto
Guilherme G. Trellese
Rodrigo M. Cordeiro
Elierge B. Costa
Armando C. Ferraz
Mauricio S. Baptista

Keywords: methylene blue, lipid bilayer, molecular dynamics simulation

Abstract:
Methylene blue (MB) and its derivatives have applications as photosensitizers in photodynamic therapy. However, little is known about their interactions with phospholipid membranes at the molecular level. We employed molecular dynamics simulations to model the binding between MB and a dipalmitoyl phosphatidylcholine (DPPC) bilayer. This was done in the presence of molecular oxygen within the membrane. The abitily of MB to induce photodamage was inferred based on its immersion depth and degree of exposition to a higher oxygen concentration inside the membrane. In addition, the effect of the presence of ions in the solvent was explicitly considered.

Pages: 18 to 21

Copyright: Copyright (c) IARIA, 2014

Publication date: November 16, 2014

Published in: conference

ISSN: 2308-3530

ISBN: 978-1-61208-380-3

Location: Lisbon, Portugal

Dates: from November 16, 2014 to November 20, 2014