Comparative molecular docking analysis of the SARS CoV-2 Spike glycoprotein with the human ACE-2 receptors and thrombin

Comparative molecular docking and vixualization analysis of the human thrombin with the SARS CoV-2 Spike glycoprotein and the human ACE-2 receptors is of interest. The data shows that residues spanning positions 30-41 in the ACE-2 have interaction with the spike glycoprotein (UniProt ID: Q9BYF1). Re...

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Detalles Bibliográficos
Autores principales: Bhanu, Piyush, Kumar, Nisha Hemandhar, Kumar, Shamini Hemandhar, Relekar, Maitrali, Anand, Daniel Alex, Kumar, Jitendra
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2020
Materias:
Research-Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7505244/
https://www.ncbi.nlm.nih.gov/pubmed/32994678
http://dx.doi.org/10.6026/97320630016532
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author Bhanu, Piyush
Kumar, Nisha Hemandhar
Kumar, Shamini Hemandhar
Relekar, Maitrali
Anand, Daniel Alex
Kumar, Jitendra
author_facet Bhanu, Piyush
Kumar, Nisha Hemandhar
Kumar, Shamini Hemandhar
Relekar, Maitrali
Anand, Daniel Alex
Kumar, Jitendra
author_sort Bhanu, Piyush
collection PubMed
description Comparative molecular docking and vixualization analysis of the human thrombin with the SARS CoV-2 Spike glycoprotein and the human ACE-2 receptors is of interest. The data shows that residues spanning positions 30-41 in the ACE-2 have interaction with the spike glycoprotein (UniProt ID: Q9BYF1). Results also shows that thrombin binds with SER494 in the spike protein, and GLU37 in the ACE2 receptor. SER494 in the viral receptor-binding domain provides support for hotspot-353 reported elsewhere. These preliminary data provide insights for further probe.
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spelling pubmed-75052442020-09-28 Comparative molecular docking analysis of the SARS CoV-2 Spike glycoprotein with the human ACE-2 receptors and thrombin Bhanu, Piyush Kumar, Nisha Hemandhar Kumar, Shamini Hemandhar Relekar, Maitrali Anand, Daniel Alex Kumar, Jitendra Bioinformation Research-Article Comparative molecular docking and vixualization analysis of the human thrombin with the SARS CoV-2 Spike glycoprotein and the human ACE-2 receptors is of interest. The data shows that residues spanning positions 30-41 in the ACE-2 have interaction with the spike glycoprotein (UniProt ID: Q9BYF1). Results also shows that thrombin binds with SER494 in the spike protein, and GLU37 in the ACE2 receptor. SER494 in the viral receptor-binding domain provides support for hotspot-353 reported elsewhere. These preliminary data provide insights for further probe. Biomedical Informatics 2020-07-31 /pmc/articles/PMC7505244/ /pubmed/32994678 http://dx.doi.org/10.6026/97320630016532 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
Bhanu, Piyush
Kumar, Nisha Hemandhar
Kumar, Shamini Hemandhar
Relekar, Maitrali
Anand, Daniel Alex
Kumar, Jitendra
Comparative molecular docking analysis of the SARS CoV-2 Spike glycoprotein with the human ACE-2 receptors and thrombin
title Comparative molecular docking analysis of the SARS CoV-2 Spike glycoprotein with the human ACE-2 receptors and thrombin
title_full Comparative molecular docking analysis of the SARS CoV-2 Spike glycoprotein with the human ACE-2 receptors and thrombin
title_fullStr Comparative molecular docking analysis of the SARS CoV-2 Spike glycoprotein with the human ACE-2 receptors and thrombin
title_full_unstemmed Comparative molecular docking analysis of the SARS CoV-2 Spike glycoprotein with the human ACE-2 receptors and thrombin
title_short Comparative molecular docking analysis of the SARS CoV-2 Spike glycoprotein with the human ACE-2 receptors and thrombin
title_sort comparative molecular docking analysis of the sars cov-2 spike glycoprotein with the human ace-2 receptors and thrombin
topic Research-Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7505244/
https://www.ncbi.nlm.nih.gov/pubmed/32994678
http://dx.doi.org/10.6026/97320630016532
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