Modulation of membrane permeability by carbon dioxide.

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ID: 34475
2019
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Abstract
Promoting drug delivery across the biological membrane is a common strategy to improve bioavailability. Inspired by the observation that carbonated alcoholic beverages can increase the absorption rate of ethanol, we speculate that carbon dioxide (CO ) molecules could also enhance membrane permeability to drugs. In the present work, we have investigated the effect of CO on the permeability of a model membrane formed by 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine lipids to three drug-like molecules, namely, ethanol, 2',3'-dideoxyadenosine, and trimethoprim. The free-energy and fractional-diffusivity profiles underlying membrane translocation were obtained from μs-timescale simulations and combined in the framework of the fractional solubility-diffusion model. We find that addition of CO in the lipid environment results in an increase of the membrane permeability to the three substrates. Further analysis of the permeation events reveals that CO expands and loosens the membrane, which, in turn, facilitates permeation of the drug-like molecules. © 2019 Wiley Periodicals, Inc.
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zhang2019modulationjournal Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Zhang, Hong;Shao, Xueguang;Dehez, François;Cai, Wensheng;Chipot, Christophe;
Journal journal of computational chemistry
Year 2019
DOI
10.1002/jcc.26063
URL
Keywords Keywords not found

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