Molecular docking analysis of zanamavir with haem agglutinin neuraminidase of human para influenza virus type 3

The human para influenza virus (HPIV) type 3 is an imperative respiratory virus which cause upper and lower respiratory infections. The receptor involved in the viral infection is haem agglutinin neuraminidase. It is of interest to study the interaction of haem agglutinin neuraminidase with zanamavi...

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Autores principales: Indumathi, Chinayan Palani, Bupesh, Giridharan, Vasanth, Sakthivel, Senthilkumar, Vijayan, Anandh, Arumugam Vijaya, Pandian, Kanniyan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2019
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6900320/
https://www.ncbi.nlm.nih.gov/pubmed/31831955
http://dx.doi.org/10.6026/97320630015730
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author Indumathi, Chinayan Palani
Bupesh, Giridharan
Vasanth, Sakthivel
Senthilkumar, Vijayan
Anandh, Arumugam Vijaya
Pandian, Kanniyan
author_facet Indumathi, Chinayan Palani
Bupesh, Giridharan
Vasanth, Sakthivel
Senthilkumar, Vijayan
Anandh, Arumugam Vijaya
Pandian, Kanniyan
author_sort Indumathi, Chinayan Palani
collection PubMed
description The human para influenza virus (HPIV) type 3 is an imperative respiratory virus which cause upper and lower respiratory infections. The receptor involved in the viral infection is haem agglutinin neuraminidase. It is of interest to study the interaction of haem agglutinin neuraminidase with zanamavir (4-GU-DANA), a known antiviral drug. We used the PDB structures with PDB IDs 1V2I, 1V3B, 1V3D and 1V3E for studying the interactions with zanamavir. The binding features of zanamavir with 1V2I (1.41kcal/mol) and 1V3E (11.81kcal/mol) having optimal interactions is reported for further consideration.
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spelling pubmed-69003202019-12-12 Molecular docking analysis of zanamavir with haem agglutinin neuraminidase of human para influenza virus type 3 Indumathi, Chinayan Palani Bupesh, Giridharan Vasanth, Sakthivel Senthilkumar, Vijayan Anandh, Arumugam Vijaya Pandian, Kanniyan Bioinformation Research Article The human para influenza virus (HPIV) type 3 is an imperative respiratory virus which cause upper and lower respiratory infections. The receptor involved in the viral infection is haem agglutinin neuraminidase. It is of interest to study the interaction of haem agglutinin neuraminidase with zanamavir (4-GU-DANA), a known antiviral drug. We used the PDB structures with PDB IDs 1V2I, 1V3B, 1V3D and 1V3E for studying the interactions with zanamavir. The binding features of zanamavir with 1V2I (1.41kcal/mol) and 1V3E (11.81kcal/mol) having optimal interactions is reported for further consideration. Biomedical Informatics 2019-10-31 /pmc/articles/PMC6900320/ /pubmed/31831955 http://dx.doi.org/10.6026/97320630015730 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
Indumathi, Chinayan Palani
Bupesh, Giridharan
Vasanth, Sakthivel
Senthilkumar, Vijayan
Anandh, Arumugam Vijaya
Pandian, Kanniyan
Molecular docking analysis of zanamavir with haem agglutinin neuraminidase of human para influenza virus type 3
title Molecular docking analysis of zanamavir with haem agglutinin neuraminidase of human para influenza virus type 3
title_full Molecular docking analysis of zanamavir with haem agglutinin neuraminidase of human para influenza virus type 3
title_fullStr Molecular docking analysis of zanamavir with haem agglutinin neuraminidase of human para influenza virus type 3
title_full_unstemmed Molecular docking analysis of zanamavir with haem agglutinin neuraminidase of human para influenza virus type 3
title_short Molecular docking analysis of zanamavir with haem agglutinin neuraminidase of human para influenza virus type 3
title_sort molecular docking analysis of zanamavir with haem agglutinin neuraminidase of human para influenza virus type 3
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6900320/
https://www.ncbi.nlm.nih.gov/pubmed/31831955
http://dx.doi.org/10.6026/97320630015730
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