Designing, characterization, and immune stimulation of a novel multi-epitopic peptide-based potential vaccine candidate against monkeypox virus through screening its whole genome encoded proteins: An immunoinformatics approach.

Abstract

BACKGROUND:

The current monkeypox virus (MPXV) spread in the non-epidemic regions raises global concern. Presently, the smallpox vaccine is used against monkeypox with several difficulties. Conversely, no next-generation vaccine is available against MPXV. Here, we proposed a novel multi-epitopic peptide-based in-silico potential vaccine candidate against the monkeypox virus.

METHODS:

The multi-epitopic potential vaccine construct was developed from antigen screening through whole genome-encoded 176 proteins of MPXV. Afterward, ten common B and T cell epitopes (9-mer) having the highest antigenicity and high population coverage were chosen, and a vaccine construct was developed using peptide linkers. The vaccine was characterized through bioinformatics to understand antigenicity, non-allergenicity, physicochemical properties, and binding affinity to immune receptors (TLR4/MD2-complex). Finally, the immune system simulation of the vaccine was performed through immunoinformatics and machine learning approaches.

RESULTS:

The highest antigenic epitopes were used to design the vaccine. The docked complex of the vaccine and TLR4/MD2 had shown significant free binding energy (-98.37 kcal/mol) with a definite binding affinity. Likewise, the eigenvalue (2.428517e-05) from NMA analysis of this docked complex reflects greater flexibility, adequate molecular motion, and reduced protein deformability, and it can provoke a robust immune response.

CONCLUSIONS:

The designed vaccine has shown the required effectiveness against MPXV without any side effects, a significant milestone against the neglected disease.

• Authors: Manojit Bhattacharya, Srijan Chatterjee, Sagnik Nag, Kuldeep Dhama, Chiranjib Chakraborty
• Journal: Travel medicine and infectious disease (Travel Med Infect Dis) 2022 Nov-Dec Vol. 50 Pg. 102481 ISSN: 1873-0442 [Electronic] Netherlands
• PMID: 36265732 (Publication Type: Journal Article)
• Copyright: Copyright © 2022 Elsevier Ltd. All rights reserved.

Chemical References

• Epitopes, B-Lymphocyte
• Toll-Like Receptor 4
• Vaccines, Subunit
• Viral Vaccines

Topics

• Humans
• Epitopes, B-Lymphocyte (chemistry, genetics)
• Molecular Docking Simulation
• Monkeypox virus
• Toll-Like Receptor 4
• Vaccines, Subunit (chemistry, genetics)
• Monkeypox (prevention & control)
• Viral Vaccines (chemistry, genetics)