Molecular dynamics simulation and docking analysis of NF-κB protein binding with sulindac acid

It is of interest to document the Molecular Dynamics Simulation and docking analysis of NF-κB target with sulindac sodium in combating COVID-19 for further consideration. Sulindac is a nonsteroidal anti-inflammatory drug (NSAID) of the arylalkanoic acid class that is marketed by Merck under the bran...

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Autores principales: Ahmad, Shaban, Bhanu, Piyush, Kumar, Jitendra, Pathak, Ravi Kant, Mallick, Dharmendra, Uttarkar, Akshay, Niranjan, Vidya, Mishra, Vachaspati
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2022
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9722428/
https://www.ncbi.nlm.nih.gov/pubmed/36518123
http://dx.doi.org/10.6026/97320630018170
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author Ahmad, Shaban
Bhanu, Piyush
Kumar, Jitendra
Pathak, Ravi Kant
Mallick, Dharmendra
Uttarkar, Akshay
Niranjan, Vidya
Mishra, Vachaspati
author_facet Ahmad, Shaban
Bhanu, Piyush
Kumar, Jitendra
Pathak, Ravi Kant
Mallick, Dharmendra
Uttarkar, Akshay
Niranjan, Vidya
Mishra, Vachaspati
author_sort Ahmad, Shaban
collection PubMed
description It is of interest to document the Molecular Dynamics Simulation and docking analysis of NF-κB target with sulindac sodium in combating COVID-19 for further consideration. Sulindac is a nonsteroidal anti-inflammatory drug (NSAID) of the arylalkanoic acid class that is marketed by Merck under the brand name Clinoril. We show the binding features of sulindac sodium with NF-κB that can be useful in drug repurposing in COVID-19 therapy.
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spelling pubmed-97224282022-12-13 Molecular dynamics simulation and docking analysis of NF-κB protein binding with sulindac acid Ahmad, Shaban Bhanu, Piyush Kumar, Jitendra Pathak, Ravi Kant Mallick, Dharmendra Uttarkar, Akshay Niranjan, Vidya Mishra, Vachaspati Bioinformation Research Article It is of interest to document the Molecular Dynamics Simulation and docking analysis of NF-κB target with sulindac sodium in combating COVID-19 for further consideration. Sulindac is a nonsteroidal anti-inflammatory drug (NSAID) of the arylalkanoic acid class that is marketed by Merck under the brand name Clinoril. We show the binding features of sulindac sodium with NF-κB that can be useful in drug repurposing in COVID-19 therapy. Biomedical Informatics 2022-03-31 /pmc/articles/PMC9722428/ /pubmed/36518123 http://dx.doi.org/10.6026/97320630018170 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
Ahmad, Shaban
Bhanu, Piyush
Kumar, Jitendra
Pathak, Ravi Kant
Mallick, Dharmendra
Uttarkar, Akshay
Niranjan, Vidya
Mishra, Vachaspati
Molecular dynamics simulation and docking analysis of NF-κB protein binding with sulindac acid
title Molecular dynamics simulation and docking analysis of NF-κB protein binding with sulindac acid
title_full Molecular dynamics simulation and docking analysis of NF-κB protein binding with sulindac acid
title_fullStr Molecular dynamics simulation and docking analysis of NF-κB protein binding with sulindac acid
title_full_unstemmed Molecular dynamics simulation and docking analysis of NF-κB protein binding with sulindac acid
title_short Molecular dynamics simulation and docking analysis of NF-κB protein binding with sulindac acid
title_sort molecular dynamics simulation and docking analysis of nf-κb protein binding with sulindac acid
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9722428/
https://www.ncbi.nlm.nih.gov/pubmed/36518123
http://dx.doi.org/10.6026/97320630018170
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