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A Bioinformatic Study on the Potential Anti-Vitiligo Activity of a Carpobrotus edulis Compound

The plant Carpobrotus edulis has traditionally been known for its wide applications in diseases, especially vitiligo, which is characterized by patches and white macules caused by the loss of melanocytes. One of the chemical treatments for vitiligo consists mainly of skin repigmentation and usually...

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Autores principales: Trigui, Emna, Ben Hassen, Hanen, Zaghden, Hatem, Trigui, Maher, Achour, Sami
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10673461/
https://www.ncbi.nlm.nih.gov/pubmed/38005266
http://dx.doi.org/10.3390/molecules28227545
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author Trigui, Emna
Ben Hassen, Hanen
Zaghden, Hatem
Trigui, Maher
Achour, Sami
author_facet Trigui, Emna
Ben Hassen, Hanen
Zaghden, Hatem
Trigui, Maher
Achour, Sami
author_sort Trigui, Emna
collection PubMed
description The plant Carpobrotus edulis has traditionally been known for its wide applications in diseases, especially vitiligo, which is characterized by patches and white macules caused by the loss of melanocytes. One of the chemical treatments for vitiligo consists mainly of skin repigmentation and usually leads to a non-durable effect by inhibiting the Janus kinase (JAK) signal transduction (STAT pathway). JAK inhibitors generally block multiple JAK tyrosine kinases, which leads to secondary effects. In this study, natural molecules from Carpobrotus edulis were extracted and tested using a structure-based drug-design approach and pharmacophore modeling. The best-fit candidate from the extracted molecules was compared to the chemical molecules used. The results indicated a similarity between the chemical and natural ligands which suggested the potential use of the natural product against vitiligo. The main finding of this research work was the discovery of a new molecule extracted from a natural plant and the detection of its anti-vitiligo activity using an in-silico approach. This method can significantly reduce the cost of searching for potential medicinal molecules.
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spelling pubmed-106734612023-11-11 A Bioinformatic Study on the Potential Anti-Vitiligo Activity of a Carpobrotus edulis Compound Trigui, Emna Ben Hassen, Hanen Zaghden, Hatem Trigui, Maher Achour, Sami Molecules Article The plant Carpobrotus edulis has traditionally been known for its wide applications in diseases, especially vitiligo, which is characterized by patches and white macules caused by the loss of melanocytes. One of the chemical treatments for vitiligo consists mainly of skin repigmentation and usually leads to a non-durable effect by inhibiting the Janus kinase (JAK) signal transduction (STAT pathway). JAK inhibitors generally block multiple JAK tyrosine kinases, which leads to secondary effects. In this study, natural molecules from Carpobrotus edulis were extracted and tested using a structure-based drug-design approach and pharmacophore modeling. The best-fit candidate from the extracted molecules was compared to the chemical molecules used. The results indicated a similarity between the chemical and natural ligands which suggested the potential use of the natural product against vitiligo. The main finding of this research work was the discovery of a new molecule extracted from a natural plant and the detection of its anti-vitiligo activity using an in-silico approach. This method can significantly reduce the cost of searching for potential medicinal molecules. MDPI 2023-11-11 /pmc/articles/PMC10673461/ /pubmed/38005266 http://dx.doi.org/10.3390/molecules28227545 Text en © 2023 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
Trigui, Emna
Ben Hassen, Hanen
Zaghden, Hatem
Trigui, Maher
Achour, Sami
A Bioinformatic Study on the Potential Anti-Vitiligo Activity of a Carpobrotus edulis Compound
title A Bioinformatic Study on the Potential Anti-Vitiligo Activity of a Carpobrotus edulis Compound
title_full A Bioinformatic Study on the Potential Anti-Vitiligo Activity of a Carpobrotus edulis Compound
title_fullStr A Bioinformatic Study on the Potential Anti-Vitiligo Activity of a Carpobrotus edulis Compound
title_full_unstemmed A Bioinformatic Study on the Potential Anti-Vitiligo Activity of a Carpobrotus edulis Compound
title_short A Bioinformatic Study on the Potential Anti-Vitiligo Activity of a Carpobrotus edulis Compound
title_sort bioinformatic study on the potential anti-vitiligo activity of a carpobrotus edulis compound
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10673461/
https://www.ncbi.nlm.nih.gov/pubmed/38005266
http://dx.doi.org/10.3390/molecules28227545
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