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Modulation of membrane permeability by carbon dioxide.

Hong Zhang1, Xueguang Shao1, François Dehez2,3

  • 1Research Center for Analytical Sciences, College of Chemistry, Nankai University, Tianjin Key Laboratory of Biosensing and Molecular Recognition, State Key Laboratory of Medicinal Chemical Biology, Tianjin, 300071, People's Republic of China.

Journal of Computational Chemistry
|September 4, 2019
PubMed
Summary

Carbon dioxide (CO2) enhances drug delivery by increasing cell membrane permeability. This study shows CO2 expands and loosens lipid membranes, facilitating drug molecule passage and improving bioavailability.

Keywords:
diffusivitydrugfree-energy calculationsmembrane permeability

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Area of Science:

  • Biophysics
  • Pharmacology
  • Materials Science

Background:

  • Improving drug bioavailability often involves enhancing drug delivery across biological membranes.
  • Carbonated beverages show increased ethanol absorption, suggesting a role for carbon dioxide (CO2).

Purpose of the Study:

  • To investigate the effect of CO2 on the permeability of model lipid membranes to drug-like molecules.
  • To explore CO2 as a potential enhancer for drug membrane transport.

Main Methods:

  • Utilized microsecond-timescale molecular dynamics simulations.
  • Employed the fractional solubility-diffusion model to analyze membrane translocation.
  • Studied a model membrane composed of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) lipids.
  • Investigated the permeation of ethanol, 2',3'-dideoxyadenosine, and trimethoprim.

Main Results:

  • CO2 addition significantly increased membrane permeability for all three drug-like molecules.
  • CO2 was observed to expand and loosen the lipid membrane structure.
  • The observed membrane alterations directly facilitated the permeation of drug molecules.

Conclusions:

  • CO2 can enhance drug delivery by increasing membrane permeability.
  • The mechanism involves CO2-induced expansion and loosening of the lipid bilayer.
  • This finding offers a novel strategy for improving drug bioavailability.