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Modeling lipid layers of atopic skin and observation of changes in lipid layer properties with changes in ceramide content

BACKGROUND: Studies have shown that there is a high correlation between atopic dermatitis and decrease in ceramide content in the lipid bilayer of skin. Moreover, it has been shown that the reduction in ceramide content in the stratum corneum is unique to atopic dermatitis, indicating that there are...

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Autores principales: Jung, In‐Keun, Choi, Joonho, Nam, Jin, No, Kyoung Tai
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8451888/
https://www.ncbi.nlm.nih.gov/pubmed/33238053
http://dx.doi.org/10.1111/jocd.13861
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author Jung, In‐Keun
Choi, Joonho
Nam, Jin
No, Kyoung Tai
author_facet Jung, In‐Keun
Choi, Joonho
Nam, Jin
No, Kyoung Tai
author_sort Jung, In‐Keun
collection PubMed
description BACKGROUND: Studies have shown that there is a high correlation between atopic dermatitis and decrease in ceramide content in the lipid bilayer of skin. Moreover, it has been shown that the reduction in ceramide content in the stratum corneum is unique to atopic dermatitis, indicating that there are particular structural differences between the lipid bilayers of normal and atopic skin. AIM: This study aimed to compare the lipid bilayer of the atopic skin with that of the healthy skin and to establish a structural model of the lipid bilayer for atopy. METHODS: Molecular dynamics simulations were performed using NAMD 2.8. Models of lipid bilayers of normal skin and atopic skin, and a model of lipid bilayer containing only ceramide were built with CHARMM‐GUI. The thickness, area occupied per lipid, and alignment of lipids were compared among the three models. Potential mean force (PMF) of the sodium laureth sulfate (SLES) on lipid bilayers was calculated to predict the affinity between SLES and lipid bilayers. RESULTS: Potential mean force calculations showed that the lipid bilayer of atopic skin was able to absorb the surfactant more easily than that of normal skin. CONCLUSIONS: When the ceramide ratio is low, the thickness of lipid bilayer is reduced and its structure is weakened. Other structural differences between the lipid layers of normal and atopic skin included increased area per lipid and poor alignment of lipids. Further, the atopy lipid bilayer model was found to absorb more SLES than the normal skin lipid bilayer model.
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spelling pubmed-84518882021-09-27 Modeling lipid layers of atopic skin and observation of changes in lipid layer properties with changes in ceramide content Jung, In‐Keun Choi, Joonho Nam, Jin No, Kyoung Tai J Cosmet Dermatol Basic Science BACKGROUND: Studies have shown that there is a high correlation between atopic dermatitis and decrease in ceramide content in the lipid bilayer of skin. Moreover, it has been shown that the reduction in ceramide content in the stratum corneum is unique to atopic dermatitis, indicating that there are particular structural differences between the lipid bilayers of normal and atopic skin. AIM: This study aimed to compare the lipid bilayer of the atopic skin with that of the healthy skin and to establish a structural model of the lipid bilayer for atopy. METHODS: Molecular dynamics simulations were performed using NAMD 2.8. Models of lipid bilayers of normal skin and atopic skin, and a model of lipid bilayer containing only ceramide were built with CHARMM‐GUI. The thickness, area occupied per lipid, and alignment of lipids were compared among the three models. Potential mean force (PMF) of the sodium laureth sulfate (SLES) on lipid bilayers was calculated to predict the affinity between SLES and lipid bilayers. RESULTS: Potential mean force calculations showed that the lipid bilayer of atopic skin was able to absorb the surfactant more easily than that of normal skin. CONCLUSIONS: When the ceramide ratio is low, the thickness of lipid bilayer is reduced and its structure is weakened. Other structural differences between the lipid layers of normal and atopic skin included increased area per lipid and poor alignment of lipids. Further, the atopy lipid bilayer model was found to absorb more SLES than the normal skin lipid bilayer model. John Wiley and Sons Inc. 2020-12-09 2021-09 /pmc/articles/PMC8451888/ /pubmed/33238053 http://dx.doi.org/10.1111/jocd.13861 Text en © 2020 The Authors. Journal of Cosmetic Dermatology published by Wiley Periodicals LLC https://creativecommons.org/licenses/by-nc/4.0/This is an open access article under the terms of the http://creativecommons.org/licenses/by-nc/4.0/ (https://creativecommons.org/licenses/by-nc/4.0/) License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited and is not used for commercial purposes.
spellingShingle Basic Science
Jung, In‐Keun
Choi, Joonho
Nam, Jin
No, Kyoung Tai
Modeling lipid layers of atopic skin and observation of changes in lipid layer properties with changes in ceramide content
title Modeling lipid layers of atopic skin and observation of changes in lipid layer properties with changes in ceramide content
title_full Modeling lipid layers of atopic skin and observation of changes in lipid layer properties with changes in ceramide content
title_fullStr Modeling lipid layers of atopic skin and observation of changes in lipid layer properties with changes in ceramide content
title_full_unstemmed Modeling lipid layers of atopic skin and observation of changes in lipid layer properties with changes in ceramide content
title_short Modeling lipid layers of atopic skin and observation of changes in lipid layer properties with changes in ceramide content
title_sort modeling lipid layers of atopic skin and observation of changes in lipid layer properties with changes in ceramide content
topic Basic Science
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8451888/
https://www.ncbi.nlm.nih.gov/pubmed/33238053
http://dx.doi.org/10.1111/jocd.13861
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