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RP-18 TLC Chromatographic and Computational Study of Skin Permeability of Steroids

The skin permeability of steroids, as investigated in this study, is important because some of these compounds are, or could, be used in preparations applied topically. Several models of skin permeability, involving thin layer chromatographic and calculated descriptors, were generated and validated...

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Detalles Bibliográficos
Autores principales: Sobanska, Anna W. Weronika, Robertson, Jeremy, Brzezińska, Elżbieta
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8308496/
https://www.ncbi.nlm.nih.gov/pubmed/34206570
http://dx.doi.org/10.3390/ph14070600
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author Sobanska, Anna W. Weronika
Robertson, Jeremy
Brzezińska, Elżbieta
author_facet Sobanska, Anna W. Weronika
Robertson, Jeremy
Brzezińska, Elżbieta
author_sort Sobanska, Anna W. Weronika
collection PubMed
description The skin permeability of steroids, as investigated in this study, is important because some of these compounds are, or could, be used in preparations applied topically. Several models of skin permeability, involving thin layer chromatographic and calculated descriptors, were generated and validated using K(p) reference values obtained in silico and then tested on a group of solutes whose experimental K(p) values could be found (log K(p)(exp)). The study established that the most applicable log K(p) model is based on RP-18 thin layer chromatographic data (R(M)) and the calculated descriptors V(M) (molar volume) and PSA (polar surface area). Two less efficient, yet simple, equations based on PSA or V(M) combined with HD (H-donor count) can be used with caution for rapid, rough estimations of compounds’ skin permeability prior to their chemical synthesis.
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spelling pubmed-83084962021-07-25 RP-18 TLC Chromatographic and Computational Study of Skin Permeability of Steroids Sobanska, Anna W. Weronika Robertson, Jeremy Brzezińska, Elżbieta Pharmaceuticals (Basel) Article The skin permeability of steroids, as investigated in this study, is important because some of these compounds are, or could, be used in preparations applied topically. Several models of skin permeability, involving thin layer chromatographic and calculated descriptors, were generated and validated using K(p) reference values obtained in silico and then tested on a group of solutes whose experimental K(p) values could be found (log K(p)(exp)). The study established that the most applicable log K(p) model is based on RP-18 thin layer chromatographic data (R(M)) and the calculated descriptors V(M) (molar volume) and PSA (polar surface area). Two less efficient, yet simple, equations based on PSA or V(M) combined with HD (H-donor count) can be used with caution for rapid, rough estimations of compounds’ skin permeability prior to their chemical synthesis. MDPI 2021-06-22 /pmc/articles/PMC8308496/ /pubmed/34206570 http://dx.doi.org/10.3390/ph14070600 Text en © 2021 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Sobanska, Anna W. Weronika
Robertson, Jeremy
Brzezińska, Elżbieta
RP-18 TLC Chromatographic and Computational Study of Skin Permeability of Steroids
title RP-18 TLC Chromatographic and Computational Study of Skin Permeability of Steroids
title_full RP-18 TLC Chromatographic and Computational Study of Skin Permeability of Steroids
title_fullStr RP-18 TLC Chromatographic and Computational Study of Skin Permeability of Steroids
title_full_unstemmed RP-18 TLC Chromatographic and Computational Study of Skin Permeability of Steroids
title_short RP-18 TLC Chromatographic and Computational Study of Skin Permeability of Steroids
title_sort rp-18 tlc chromatographic and computational study of skin permeability of steroids
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8308496/
https://www.ncbi.nlm.nih.gov/pubmed/34206570
http://dx.doi.org/10.3390/ph14070600
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