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

Comparative molecular docking analysis of the SARS CoV-2 Spike glycoprotein with the human ACE-2 receptors and thrombin.
Bioinformation. 2020;16(7):532-538
Authors: Bhanu P, Kumar NH, Kumar SH, Relekar M, Anand DA, Kumar J
Abstract
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.
PMID: 32994678 [PubMed]

Source: Bioinformation - October 2, 2020 Category: Bioinformatics Authors: Bhanu P, Kumar NH, Kumar SH, Relekar M, Anand DA, Kumar J Tags: Bioinformation Source Type: research