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
Descripción
Sumario: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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