Mikrobiol. Z. 2021; 83(2):82-92.
Molecular Docking of SARS-CoV-2 Nucleocapsid Protein with Angiotensin-Converting Enzyme II
A.A. Dawood1, M.A.A. Altobje2, Z.T. Al-Rrassam3
1Department of Anatomy, College of Medicine
University of Mosul, Mosul, Iraq
2Department of Biology, College of Science
University of Mosul, Mosul, Iraq
3Department of Biophysics, College of Science
University of Mosul, Mosul, Iraq
SARS-CoV-2 remains life-threatening human pathogen witnessed in the present world. Purpose. The key objective of this research was to incorporate a bioinformatics technique to forecast the molecular docking of the ACE2-associated SARS-CoVs nucleocapsid protein. Methods. Different bioinformatics tools were used in this study in order to compare the chemical structures with their biological behaviour at the levels of atoms and the ligand-binding affinity. This research sought to investigate new data analysis. Results. It was computed the basic 2D structure that occurs in all models, requiring ion ligand binding sites to be predicted. The highlights of the analysis and the associated characteristics are largely responsible for nucleocapsid protein and ACE2 receptor that can be further changed for improved binding and selectivity. Conclusions. The precise functional importance of protein-protein docking cannot be established. But the detection of molecular docking can aid in self-association proteins in our summary, serving as a regulatory switch for the protein’s localization.
Keywords: COVID-19, SARS-CoV-2, angiotensin-converting enzyme II (ACE2), nucleocapsid, molecular docking, receptor-binding domain (RBD) protein, RMSD.
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