Title:Drug-Lipid Membrane Interaction Mechanisms Revealed Through Molecular Simulations
Volume: 2
Issue: 4
Author(s): Oana Cramariuc, Tomasz Rog and Ilpo Vattulainen
Affiliation:
Keywords:
Drug-membrane interactions, Lipid membrane, Lipid bilayer, Molecular simulations, Molecular dynamics,
Anesthetics, Alcohols, Antipsychotic, Antidepressants, Anticancer, Antimicrobian, Cardiovascular, NSAID, Nanoparticle, Hydroxyl radical
Abstract: Traditionally it has been assumed that drugs interact with membranes via specific binding with membrane
proteins. This view has recently been questioned as more and more data support the perspective that membrane-mediated
drug-protein interactions are also important, and some drugs interact directly with lipids too. Meanwhile unraveling the
mechanisms of drug-induced effects on membranes is exceptionally difficult since the related phenomena take place over
molecular scales in nanoseconds. In this review, we discuss how molecular simulations can be exploited to provide insight
into these issues. In particular we discuss recent breakthroughs in this field and show the added value given by simulations
in studies of drug-membrane interactions.
