Molecular modeling and docking analysis of aspirin with pde7b in the context of neuro-inflammation

The PDE7B gene encodes 3'5'-cyclic nucleotide phosphodiesterase (PDE) and a known target in cognitive impairments. Therefore, it is of interest to design and development of potential inhibitors with PDE7B with improved binding features. We document that the amino acid residues such as H186...

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Detalles Bibliográficos
Autores principales: Balasundaram, Arthi, David, Darling Chellathai
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2020
Materias:
Research-Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7196167/
https://www.ncbi.nlm.nih.gov/pubmed/32405171
http://dx.doi.org/10.6026/97320630016183
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author Balasundaram, Arthi
David, Darling Chellathai
author_facet Balasundaram, Arthi
David, Darling Chellathai
author_sort Balasundaram, Arthi
collection PubMed
description The PDE7B gene encodes 3'5'-cyclic nucleotide phosphodiesterase (PDE) and a known target in cognitive impairments. Therefore, it is of interest to design and development of potential inhibitors with PDE7B with improved binding features. We document that the amino acid residues such as H186, K190, and G113 of PDE7B protein showed crucial interactions with aspirin for further consideration in this context.
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spelling pubmed-71961672020-05-13 Molecular modeling and docking analysis of aspirin with pde7b in the context of neuro-inflammation Balasundaram, Arthi David, Darling Chellathai Bioinformation Research-Article The PDE7B gene encodes 3'5'-cyclic nucleotide phosphodiesterase (PDE) and a known target in cognitive impairments. Therefore, it is of interest to design and development of potential inhibitors with PDE7B with improved binding features. We document that the amino acid residues such as H186, K190, and G113 of PDE7B protein showed crucial interactions with aspirin for further consideration in this context. Biomedical Informatics 2020-02-29 /pmc/articles/PMC7196167/ /pubmed/32405171 http://dx.doi.org/10.6026/97320630016183 Text en © 2020 Biomedical Informatics http://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
Balasundaram, Arthi
David, Darling Chellathai
Molecular modeling and docking analysis of aspirin with pde7b in the context of neuro-inflammation
title Molecular modeling and docking analysis of aspirin with pde7b in the context of neuro-inflammation
title_full Molecular modeling and docking analysis of aspirin with pde7b in the context of neuro-inflammation
title_fullStr Molecular modeling and docking analysis of aspirin with pde7b in the context of neuro-inflammation
title_full_unstemmed Molecular modeling and docking analysis of aspirin with pde7b in the context of neuro-inflammation
title_short Molecular modeling and docking analysis of aspirin with pde7b in the context of neuro-inflammation
title_sort molecular modeling and docking analysis of aspirin with pde7b in the context of neuro-inflammation
topic Research-Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7196167/
https://www.ncbi.nlm.nih.gov/pubmed/32405171
http://dx.doi.org/10.6026/97320630016183
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