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International journal of molecular sciences
MDPI
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Abstract: |
Nipah virus is one of the most harmful emerging viruses with deadly effects on both
humans and animals. Because of the severe outbreaks, in 2018, the World Health Organization
focused on the urgent need for the development of effective solutions against the virus. However, up
to date, there is no effective vaccine against the Nipah virus in the market. In the current study, the
complete proteome of the Nipah virus (nine proteins) was analyzed for the antigenicity score and
the virulence role of each protein, where we came up with fusion glycoprotein (F), glycoprotein (G),
protein (V), and protein (W) as the candidates for epitope prediction. Following that, the multitope
vaccine was designed based on top-ranking CTL, HTL, and BCL epitopes from the selected proteins.
We used suitable linkers, adjuvant, and PADRE peptides to finalize the constructed vaccine, which
was analyzed for its physicochemical features, antigenicity, toxicity, allergenicity, and solubility.
The designed vaccine passed these assessments through computational analysis and, as a final
step, we ran a docking analysis between the designed vaccine and TLR-3 and validated the docked
complex through molecular dynamics simulation, which estimated a strong binding and supported
the nomination of the designed vaccine as a putative solution for Nipah virus. Here, we describe the
computational approach for design and analysis of this vaccine.
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