Molecular docking analysis and dynamics simulation of salbutamol with the monoamine oxidase B (MAO-B) enzyme

The monoamine oxidase B (MAO-B) enzyme is linked with Parkinson's disease. Therefore, it is of interest to document the molecular docking analysis and dynamics simulation of salbutamol, a well-known β2-adrenoceptor agonist, with the monoamine oxidase B (MAO-B) enzyme for further consideration i...

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Detalles Bibliográficos
Autores principales: Abdulhameed Odhar, Hasanain, Fadhil Hashim, Ahmed, Sami Humad, Suhad
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2022
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9722423/
https://www.ncbi.nlm.nih.gov/pubmed/36518132
http://dx.doi.org/10.6026/97320630018304
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author Abdulhameed Odhar, Hasanain
Fadhil Hashim, Ahmed
Sami Humad, Suhad
author_facet Abdulhameed Odhar, Hasanain
Fadhil Hashim, Ahmed
Sami Humad, Suhad
author_sort Abdulhameed Odhar, Hasanain
collection PubMed
description The monoamine oxidase B (MAO-B) enzyme is linked with Parkinson's disease. Therefore, it is of interest to document the molecular docking analysis and dynamics simulation of salbutamol, a well-known β2-adrenoceptor agonist, with the monoamine oxidase B (MAO-B) enzyme for further consideration in drug design and development.
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spelling pubmed-97224232022-12-13 Molecular docking analysis and dynamics simulation of salbutamol with the monoamine oxidase B (MAO-B) enzyme Abdulhameed Odhar, Hasanain Fadhil Hashim, Ahmed Sami Humad, Suhad Bioinformation Research Article The monoamine oxidase B (MAO-B) enzyme is linked with Parkinson's disease. Therefore, it is of interest to document the molecular docking analysis and dynamics simulation of salbutamol, a well-known β2-adrenoceptor agonist, with the monoamine oxidase B (MAO-B) enzyme for further consideration in drug design and development. Biomedical Informatics 2022-03-31 /pmc/articles/PMC9722423/ /pubmed/36518132 http://dx.doi.org/10.6026/97320630018304 Text en © 2022 Biomedical Informatics https://creativecommons.org/licenses/by/3.0/This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.
spellingShingle Research Article
Abdulhameed Odhar, Hasanain
Fadhil Hashim, Ahmed
Sami Humad, Suhad
Molecular docking analysis and dynamics simulation of salbutamol with the monoamine oxidase B (MAO-B) enzyme
title Molecular docking analysis and dynamics simulation of salbutamol with the monoamine oxidase B (MAO-B) enzyme
title_full Molecular docking analysis and dynamics simulation of salbutamol with the monoamine oxidase B (MAO-B) enzyme
title_fullStr Molecular docking analysis and dynamics simulation of salbutamol with the monoamine oxidase B (MAO-B) enzyme
title_full_unstemmed Molecular docking analysis and dynamics simulation of salbutamol with the monoamine oxidase B (MAO-B) enzyme
title_short Molecular docking analysis and dynamics simulation of salbutamol with the monoamine oxidase B (MAO-B) enzyme
title_sort molecular docking analysis and dynamics simulation of salbutamol with the monoamine oxidase b (mao-b) enzyme
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9722423/
https://www.ncbi.nlm.nih.gov/pubmed/36518132
http://dx.doi.org/10.6026/97320630018304
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