Christopher G. Mayne, Mark J. Arcario, Paween Mahinthichaichan, Javier L.
Baylon, Josh V. Vermaas, Latifeh Navidpour, Po-Chao Wen, Sundarapandian
Thangapandian, and Emad Tajkhorshid.
The cellular membrane as a mediator for small molecule interaction
with membrane proteins.
Biochimica et Biophysica Acta - Biomembranes, 1858:2290-2304,
2016.
(PMC: PMC4983535)
MAYN2016-ET
The cellular membrane constitutes the first element that encounters a wide variety of molecular species to which
a cell might be exposed. Hosting a large number of structurally and functionally diverse proteins associated with
this key metabolic compartment, the membrane not only directly controls the traffic of various molecules in and
out of the cell, it also participates in such diverse and important processes as signal transduction and chemical
processing of incoming molecular species. In this article, we present a number of cases where details of
interaction of small molecular species such as drugs with the membrane,which are often experimentally inaccessible,
have been studied using advanced molecular simulation techniques. We have selected systems in which
partitioning of the small molecule with the membrane constitutes a key step for its final biological function,
often binding to and interacting with a protein associated with the membrane. These examples demonstrate
that membrane partitioning is not only important for the overall distribution of drugs and other small molecules
into different compartments of the body, it may also play a key role in determining the efficiency and the mode of
interaction of the drug with its target protein.
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