Molecular docking based design of Dengue NS5 methyltransferase inhibitors

Dengue is a viral infection caused by RNA infection of the family Flaviviridae and spread by the Aedes mosquitoes. Dengue NS5 methyltransferase is a known drug target for the disease. Therefore, it is of interest to design potential inhibitors for the target using molecular docking analysis. Our ana...

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Detalles Bibliográficos
Autores principales: Kausar, Mohd Adnan, Ali, Abrar, Qiblawi, Samir, Shahid, SMA, Izhari, Mohammad Asrar, saral, Anamika
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2019
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6614123/
https://www.ncbi.nlm.nih.gov/pubmed/31312076
http://dx.doi.org/10.6026/97320630015394
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author Kausar, Mohd Adnan
Ali, Abrar
Qiblawi, Samir
Shahid, SMA
Izhari, Mohammad Asrar
saral, Anamika
author_facet Kausar, Mohd Adnan
Ali, Abrar
Qiblawi, Samir
Shahid, SMA
Izhari, Mohammad Asrar
saral, Anamika
author_sort Kausar, Mohd Adnan
collection PubMed
description Dengue is a viral infection caused by RNA infection of the family Flaviviridae and spread by the Aedes mosquitoes. Dengue NS5 methyltransferase is a known drug target for the disease. Therefore, it is of interest to design potential inhibitors for the target using molecular docking analysis. Our analysis shows the binding of compounds STOCK1N-98943, STOCK1N-98872, STOCK1N-98956, STOCK1N-98865, and STOCK1N-98950 with the protein drug target with optimal binding features for further in vitro and in vivo evaluations.
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spelling pubmed-66141232019-07-16 Molecular docking based design of Dengue NS5 methyltransferase inhibitors Kausar, Mohd Adnan Ali, Abrar Qiblawi, Samir Shahid, SMA Izhari, Mohammad Asrar saral, Anamika Bioinformation Research Article Dengue is a viral infection caused by RNA infection of the family Flaviviridae and spread by the Aedes mosquitoes. Dengue NS5 methyltransferase is a known drug target for the disease. Therefore, it is of interest to design potential inhibitors for the target using molecular docking analysis. Our analysis shows the binding of compounds STOCK1N-98943, STOCK1N-98872, STOCK1N-98956, STOCK1N-98865, and STOCK1N-98950 with the protein drug target with optimal binding features for further in vitro and in vivo evaluations. Biomedical Informatics 2019-05-30 /pmc/articles/PMC6614123/ /pubmed/31312076 http://dx.doi.org/10.6026/97320630015394 Text en © 2019 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
Kausar, Mohd Adnan
Ali, Abrar
Qiblawi, Samir
Shahid, SMA
Izhari, Mohammad Asrar
saral, Anamika
Molecular docking based design of Dengue NS5 methyltransferase inhibitors
title Molecular docking based design of Dengue NS5 methyltransferase inhibitors
title_full Molecular docking based design of Dengue NS5 methyltransferase inhibitors
title_fullStr Molecular docking based design of Dengue NS5 methyltransferase inhibitors
title_full_unstemmed Molecular docking based design of Dengue NS5 methyltransferase inhibitors
title_short Molecular docking based design of Dengue NS5 methyltransferase inhibitors
title_sort molecular docking based design of dengue ns5 methyltransferase inhibitors
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6614123/
https://www.ncbi.nlm.nih.gov/pubmed/31312076
http://dx.doi.org/10.6026/97320630015394
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