Malaysian Journal of Pharmacy, Vol 10 (1)
Background and Objective: SARS-CoV-2, a high mutation RNA virus, drives new variants that are escalating global
infectious cases. Genetic modifications aid host adaptation, thus evading vaccine-induced immunity. Therefore, designing a
broad-spectrum vaccine could address the current vaccine limitations. Leveraging immunoinformatics and in-silico structural
analysis has streamlined the identification and design of potential vaccine candidates, thereby enhancing vaccine efficacy.
Non-structural proteins (NSP) can be potential targets for therapy as they are pivotal for viral replication. This study identifies
potential T-cell epitopes from antigenic conserved regions of NSP8, characterised and studied for their interaction with TLR3 to determine their potential as vaccine candidates. Method: The protein sequence of NSP8 originated from SARS-CoV-2,
its variants, and SARS-CoV were retrieved from the NCBI database. Phylogenetic analysis was performed using MEGA11
software. Clustal Omega and GISAID servers were used to assess sequence conservancy and mutation rate while Vaxijen
V2.0 was used to determine the antigenicity of conserved peptides. IEDB server was used to predict T-cell epitopes, ITASSER, and GalaxyRefine refined 3D structure. Models were validated using ProSA. HawkDock facilitated docking against
TLR-3, and ChimeraX visualised binding interactions of the docked complexes. Results and Discussion: The NSP8 protein
of the SARS-CoV-2 contained two antigenic conserved regions, with 97.50 - 100% sequence identity across variants and
SARS-CoV. 12 antigenic MHC class I and 24 antigenic MHC class II epitopes were identified. However, with stringent
epitope characterisation, only 3 MHC class I and 12 MHC class II epitopes were considered. The 3D structure of antigenic
conserved regions was predicted, refined, and validated as good quality. The model docked with TLR-3 showed binding
energy from –44.11 kcal/mol to 0.8 kcal/mol. The selected peptide had moderate affinity. Conclusion: The epitope prediction
and docking results highlight promising antigenic regions in NSP8, suggesting its potential as a broad-spectrum vaccine
candidate. Further, in-vitro and in-vivo analyses are essential to ascertain immunological impact.
RIK2500001 | 615 | Perpustakaan FIKES | Tersedia |
Judul Seri
International Conference on Drug Discovery and Development 2024
Penerbit
Malaysian Journal of Pharmacy :
Penang, Malaysia.,
2024
Deskripsi Fisik
Volume 10, Issue 1, Supplementary (2024), 63-83
ISBN/ISSN
ISSN 1675 – 3666
Pernyataan Tanggungjawab
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