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Docking Studies of Methylthiomorpholin Phenols (LQM300 Series) with Angiotensin-Converting Enzyme (ACE)

A main target in the treatment of hypertension is the angiotensin-converting enzyme (ACE). This enzyme is responsible for producing angiotensin II, a potent vasoconstrictor. Therefore, one of the targets in the treatment of hypertension is to inhibit ACE activity. Hence, this study’s aim is to use c...

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Autores principales: Vázquez-Valadez, Víctor H., Abrego, V.H., Martínez, Pablo A., Torres, Gabriela, Zúñiga, Oscar, Escutia, Daniel, Vilchis, Rebeca, Velázquez, Ana Ma., Martínez, Luisa, Ruiz, Mónica, Camacho, Brígida, López-Castañares, Rafael, Angeles, Enrique
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Bentham Open 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3849751/
https://www.ncbi.nlm.nih.gov/pubmed/24319502
http://dx.doi.org/10.2174/1874104501307010030
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author Vázquez-Valadez, Víctor H.
Abrego, V.H.
Martínez, Pablo A.
Torres, Gabriela
Zúñiga, Oscar
Escutia, Daniel
Vilchis, Rebeca
Velázquez, Ana Ma.
Martínez, Luisa
Ruiz, Mónica
Camacho, Brígida
López-Castañares, Rafael
Angeles, Enrique
author_facet Vázquez-Valadez, Víctor H.
Abrego, V.H.
Martínez, Pablo A.
Torres, Gabriela
Zúñiga, Oscar
Escutia, Daniel
Vilchis, Rebeca
Velázquez, Ana Ma.
Martínez, Luisa
Ruiz, Mónica
Camacho, Brígida
López-Castañares, Rafael
Angeles, Enrique
author_sort Vázquez-Valadez, Víctor H.
collection PubMed
description A main target in the treatment of hypertension is the angiotensin-converting enzyme (ACE). This enzyme is responsible for producing angiotensin II, a potent vasoconstrictor. Therefore, one of the targets in the treatment of hypertension is to inhibit ACE activity. Hence, this study’s aim is to use computational studies to demonstrate that the proposed heterocyclic compounds have a molecular affinity for ACE and that, furthermore, these heterocyclic compounds are capable of inhibiting ACE activity, thus avoiding the production of the vasopressor Angiotensin II. All this using computer-aided drug design, and studying the systems, with the proposed compounds, through molecular recognition process and compared with the compounds already on the market for hypertension.
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spelling pubmed-38497512013-12-06 Docking Studies of Methylthiomorpholin Phenols (LQM300 Series) with Angiotensin-Converting Enzyme (ACE) Vázquez-Valadez, Víctor H. Abrego, V.H. Martínez, Pablo A. Torres, Gabriela Zúñiga, Oscar Escutia, Daniel Vilchis, Rebeca Velázquez, Ana Ma. Martínez, Luisa Ruiz, Mónica Camacho, Brígida López-Castañares, Rafael Angeles, Enrique Open Med Chem J Article A main target in the treatment of hypertension is the angiotensin-converting enzyme (ACE). This enzyme is responsible for producing angiotensin II, a potent vasoconstrictor. Therefore, one of the targets in the treatment of hypertension is to inhibit ACE activity. Hence, this study’s aim is to use computational studies to demonstrate that the proposed heterocyclic compounds have a molecular affinity for ACE and that, furthermore, these heterocyclic compounds are capable of inhibiting ACE activity, thus avoiding the production of the vasopressor Angiotensin II. All this using computer-aided drug design, and studying the systems, with the proposed compounds, through molecular recognition process and compared with the compounds already on the market for hypertension. Bentham Open 2013-11-23 /pmc/articles/PMC3849751/ /pubmed/24319502 http://dx.doi.org/10.2174/1874104501307010030 Text en © Vázquez-Valadez et al.; Licensee Bentham Open. http://creativecommons.org/licenses/by-nc/3.0/ This is an open access article licensed under the terms of the Creative Commons Attribution Non-Commercial License (http://creativecommons.org/licenses/by-nc/3.0/) which permits unrestricted, non-commercial use, distribution and reproduction in any medium, provided the work is properly cited.
spellingShingle Article
Vázquez-Valadez, Víctor H.
Abrego, V.H.
Martínez, Pablo A.
Torres, Gabriela
Zúñiga, Oscar
Escutia, Daniel
Vilchis, Rebeca
Velázquez, Ana Ma.
Martínez, Luisa
Ruiz, Mónica
Camacho, Brígida
López-Castañares, Rafael
Angeles, Enrique
Docking Studies of Methylthiomorpholin Phenols (LQM300 Series) with Angiotensin-Converting Enzyme (ACE)
title Docking Studies of Methylthiomorpholin Phenols (LQM300 Series) with Angiotensin-Converting Enzyme (ACE)
title_full Docking Studies of Methylthiomorpholin Phenols (LQM300 Series) with Angiotensin-Converting Enzyme (ACE)
title_fullStr Docking Studies of Methylthiomorpholin Phenols (LQM300 Series) with Angiotensin-Converting Enzyme (ACE)
title_full_unstemmed Docking Studies of Methylthiomorpholin Phenols (LQM300 Series) with Angiotensin-Converting Enzyme (ACE)
title_short Docking Studies of Methylthiomorpholin Phenols (LQM300 Series) with Angiotensin-Converting Enzyme (ACE)
title_sort docking studies of methylthiomorpholin phenols (lqm300 series) with angiotensin-converting enzyme (ace)
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3849751/
https://www.ncbi.nlm.nih.gov/pubmed/24319502
http://dx.doi.org/10.2174/1874104501307010030
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