Structural vaccinology, molecular simulation and immune simulation approaches to design multi-epitopes vaccine against John Cunningham virus

Suleman, Muhammad and Khan, Tariq Aziz and Ejaz, Hadiqa and Maroof, Sabahat and Alshammari, Abdulrahman and Albekairi, Norah A. and Khan, Haji and Waheed, Yasir and Khan, Abbas * and Wei, Dong-Qing and Crovella, Sergio (2024) Structural vaccinology, molecular simulation and immune simulation approaches to design multi-epitopes vaccine against John Cunningham virus. Microbial Pathogenesis, 189. ISSN 0882-4010

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Official URL: https://doi.org/10.1016/j.micpath.2024.106572

Abstract

The JCV (John Cunningham Virus) is known to cause progressive multifocal leukoencephalopathy, a condition that results in the formation of tumors. Symptoms of this condition such as sensory defects, cognitive dysfunction, muscle weakness, homonosapobia, difficulties with coordination, and aphasia. To date, there is no specific and effective treatment to completely cure or prevent John Cunningham polyomavirus infections. Since the best way to control the disease is vaccination. In this study, the immunoinformatic tools were used to predict the high immunogenic and non-allergenic B cells, helper T cells (HTL), and cytotoxic T cells (CTL) epitopes from capsid, major capsid, and T antigen proteins of JC virus to design the highly efficient subunit vaccines. The specific immunogenic linkers were used to link together the predicted epitopes and subjected to 3D modeling by using the Robetta server. MD simulation was used to confirm that the newly constructed vaccines are stable and properly fold. Additionally, the molecular docking approach revealed that the vaccines have a strong binding affinity with human TLR-7. The codon adaptation index (CAI) and GC content values verified that the constructed vaccines would be highly expressed in E. coli pET28a (+) plasmid. The immune simulation analysis indicated that the human immune system would have a strong response to the vaccines, with a high titer of IgM and IgG antibodies being produced. In conclusion, this study will provide a pre-clinical concept to construct an effective, highly antigenic, non-allergenic, and thermostable vaccine to combat the infection of the John Cunningham virus.

Item Type: Article
Uncontrolled Keywords: immune simulations; immune-informatics; JC virus; molecular docking; John Cunningham Virus;
Subjects: Q Science > QR Microbiology
R Medicine > RM Therapeutics. Pharmacology
Divisions: Others > Non Sunway Academics
Sunway University > School of Medical and Life Sciences [formerly School of Healthcare and Medical Sciences until 2020]
Depositing User: Ms Yong Yee Chan
Date Deposited: 06 May 2024 02:17
Last Modified: 06 May 2024 02:17
URI: http://eprints.sunway.edu.my/id/eprint/2563

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