An examination of published datasets of skin permeability and partition coefficients.
In silico modelling
Partition coefficient
Permeation coefficient
Stratum corneum
Journal
Toxicology in vitro : an international journal published in association with BIBRA
ISSN: 1879-3177
Titre abrégé: Toxicol In Vitro
Pays: England
ID NLM: 8712158
Informations de publication
Date de publication:
Dec 2023
Dec 2023
Historique:
received:
19
04
2023
revised:
15
09
2023
accepted:
22
09
2023
medline:
23
10
2023
pubmed:
29
9
2023
entrez:
28
9
2023
Statut:
ppublish
Résumé
Permeability and partition coefficients of the skin barrier are important for assessing dermal absorption, bioavailability, and safety of cosmetics and medicine. We use the Potts and Guy equation to analyse the dependence of skin permeability on the hydrophobicity of permeants and highlight the significant differences in published datasets. Correlations of solute partition to skin are examined to understand the likely causes of the differences in the skin permeability datasets. Recently published permeability datasets show weak correlation and low dependence on hydrophobicity. As expected, early datasets show good correlation with hydrophobicity due to the related derivation. The weaker correlation of later datasets cannot be explained by the partition to skin lipids. All the datasets of solute partition to skin lipid showed a similar correlation to hydrophobicity where the log-linear correlation coefficient of partition is almost the same of the log-linear coefficient of Potts and Guy equation. Weak correlation and dependence of the late permeability datasets with SC lipid/water partition and that they are significantly under predicted by the Potts and Guy equation suggests either additional non-lipid pathway at play or a weaker skin barrier property.
Identifiants
pubmed: 37769857
pii: S0887-2333(23)00151-0
doi: 10.1016/j.tiv.2023.105702
pii:
doi:
Substances chimiques
Lipids
0
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
105702Informations de copyright
Copyright © 2023. Published by Elsevier Ltd.
Déclaration de conflit d'intérêts
Declaration of Competing Interest The authors declare the following financial interests/personal relationships which may be considered as potential competing interests: Benjamin Deacon reports financial support was provided by Biotechnology and Biological Sciences Research Council. Benjamin Deacon reports financial support was provided by Unilever Plc.