Design of Inhibitory Peptides of the Interaction between the RBD Domain of the S1 Protein of SARS-CoV-2 and the Angiotensin-Converting Enzyme 2 (ACE2) Receptor

Abstract

Background: The recent outbreak caused by SARS-CoV-2, known as COVID-19, has been cataloged as a global catastrophe due to the growing number of infected cases and deaths since November 2019; this infectious contagious disease, to date, does not have a vaccine available or specific treatment, which is why the number of cases continues increasing. SARS-CoV-2 infects humans as a result of the interaction between the receptor-binding domain of the viral spike protein and the receptor of the angiotensin-converting enzyme-2 (rACE2), located predominantly in the alveolar cells. Objective: To identify through computational tools, inhibitory peptides of the protein-protein interaction between the Receptor-binding-domain of the Spike protein of SARS-CoV-2 and the angiotensin-converting enzyme-2 receptor. Methods: through the Research Collaboratory for Structural Bioinformatics protein database, crystals were selected and interaction models were carried out between the viral protein and the ACE2; thereafter, the study sought and designed inhibitory peptides of the interaction through the Rosetta web server, validated their interaction through ClusPro and, finally, determined the theoretical physicochemical and cytotoxic properties. Results: A protein complex was generated modeled through ClusPro; the balanced model was selected with the lowest binding energy. From the protein interactions of each of the crystals and from the model eight peptides of 20 residues were obtained. The theoretical evaluation showed non-toxic peptides, six soluble in water, and two insoluble. Conclusion: We found eight peptides interacted with the receptor-binding-domain of the Spike Protein of SARS-CoV-2, which could avoid contact with the cell receptor and generate interference in the infection process.

Stimulation of immune response in mice using the plant-produced SARS-CoV-2 S1 subunit protein linked to the fc region

“…: The feature and limitations of the vaccine types (83) ........................................... 17 Table 2: Mechanisms action of adjuvants (87) 4: The comparison of advantages and disadvantages of the expression system for the recombinant protein (105) Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) was discovered for the first time in Wuhan, China (1), and responsibility for the human pandemic across the world. For this reason, it has much research that develops the vaccine, antiviral drugs, and diagnostic reagents to delay this pandemic disease lives (2).…”