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Mechanisms of the drug penetration enhancer propylene glycol interacting with skin lipid membranes
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Mistry, Jade and Notman, Rebecca (2024) Mechanisms of the drug penetration enhancer propylene glycol interacting with skin lipid membranes. The Journal of Physical Chemistry B, 128 (16). pp. 3885-3897. doi:10.1021/acs.jpcb.3c06784 ISSN 1520-6106.
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mistry-notman-2024-mechanisms-of-the-drug-penetration-enhancer-propylene-glycol-interacting-with-skin-lipid-membranes.pdf - Published Version - Requires a PDF viewer. Available under License Creative Commons Attribution 4.0. Download (3858Kb) | Preview |
Official URL: http://doi.org/10.1021/acs.jpcb.3c06784
Abstract
Very few drugs have the necessary physicochemical properties to cross the skin’s main permeability barrier, the stratum corneum (SC), in sufficient amounts. Propylene glycol (PG) is a chemical penetration enhancer that could be included in topical formulations in order to overcome the barrier properties of the skin and facilitate the transport of drugs across it. Experiments have demonstrated that PG increases the mobility and disorder of SC lipids and may extract cholesterol from the SC, but little is known about the molecular mechanisms of drug permeation enhancement by PG. In this work, we have performed molecular dynamics (MD) simulations to investigate the molecular-level effects of PG on the structure and properties of model SC lipid bilayers. The model bilayers were simulated in the presence of PG concentrations over the range of 0–100% w/w PG, using both an all-atom and a united atom force field. PG was found to localize in the hydrophilic headgroup regions at the bilayer interface, to occupy the lipid–water hydrogen-bonding sites, and to slightly increase lipid tail disorder in a concentration-dependent manner. We showed with MD simulation that PG enhances the permeation of small molecules such as water by interacting with the bilayer interface; the results of our study may be used to guide the design of formulations for transdermal drug delivery with enhanced skin permeation, as well as topical formulations and cosmetic products.
Item Type: | Journal Article | |||||||||
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Subjects: | Q Science > QD Chemistry R Medicine > RS Pharmacy and materia medica |
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry | |||||||||
SWORD Depositor: | Library Publications Router | |||||||||
Library of Congress Subject Headings (LCSH): | Drug delivery systems, Transdermal medication, Skin absorption, Injections, Intradermal, Glycols | |||||||||
Journal or Publication Title: | The Journal of Physical Chemistry B | |||||||||
Publisher: | American Chemical Society | |||||||||
ISSN: | 1520-6106 | |||||||||
Official Date: | 25 April 2024 | |||||||||
Dates: |
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Volume: | 128 | |||||||||
Number: | 16 | |||||||||
Page Range: | pp. 3885-3897 | |||||||||
DOI: | 10.1021/acs.jpcb.3c06784 | |||||||||
Status: | Peer Reviewed | |||||||||
Publication Status: | Published | |||||||||
Access rights to Published version: | Open Access (Creative Commons) | |||||||||
Copyright Holders: | Copyright © 2024 The Authors. Published by American Chemical Society | |||||||||
Date of first compliant deposit: | 30 April 2024 | |||||||||
Date of first compliant Open Access: | 1 May 2024 | |||||||||
RIOXX Funder/Project Grant: |
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