May 11, 2016

The cellular membrane as a mediator for small molecule interaction with membrane proteins

Biochimica Et Biophysica Acta
Christopher G MayneEmad Tajkhorshid


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...Continue Reading

  • References162
  • Citations9


  • References162
  • Citations9

Mentioned in this Paper

Metabolic Process, Cellular
Molecular Dynamics
Cytochrome c Oxidase Subunit VIa
Body Fluid Compartments
Catatoxic Steroids
Cytochrome P450 3A
Staphylococcal Protein A
Pharmacologic Substance

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