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Title: The Secret Lives of Fluorescent Membrane Probes as Revealed by Molecular Dynamics Simulations
Authors: Filipe, Hugo A. L. 
Moreno, Maria João 
Loura, Luís M. S. 
Keywords: fluorescence; lipid bilayer; membrane probes; molecular dynamics; molecular simulation
Issue Date: 28-Jul-2020
Publisher: MDPI
Project: UIDB/00313/2020 
EcoX (CENTRO-01-0247-FEDER-033838) 
Serial title, monograph or event: Molecules
Volume: 25
Issue: 15
Abstract: Fluorescent probes have been employed for more than half a century to study the structure and dynamics of model and biological membranes, using spectroscopic and/or microscopic experimental approaches. While their utilization has led to tremendous progress in our knowledge of membrane biophysics and physiology, in some respects the behavior of bilayer-inserted membrane probes has long remained inscrutable. The location, orientation and interaction of fluorophores with lipid and/or water molecules are often not well known, and they are crucial for understanding what the probe is actually reporting. Moreover, because the probe is an extraneous inclusion, it may perturb the properties of the host membrane system, altering the very properties it is supposed to measure. For these reasons, the need for independent methodologies to assess the behavior of bilayer-inserted fluorescence probes has been recognized for a long time. Because of recent improvements in computational tools, molecular dynamics (MD) simulations have become a popular means of obtaining this important information. The present review addresses MD studies of all major classes of fluorescent membrane probes, focusing in the period between 2011 and 2020, during which such work has undergone a dramatic surge in both the number of studies and the variety of probes and properties accessed.
ISSN: 1420-3049
DOI: 10.3390/molecules25153424
Rights: openAccess
Appears in Collections:I&D CQC - Artigos em Revistas Internacionais
I&D CNC - Artigos em Revistas Internacionais
FFUC- Artigos em Revistas Internacionais

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