Design of multi-epitope vaccine candidate against SARS-CoV-2: a in-silico study.

Journal of Biomolecular Structure & Dynamics
Abraham Peele KVenkateswarulu T C

Abstract

The best therapeutic strategy to find an effective vaccine against SARS-CoV-2 is to explore the target structural protein. In the present study, a novel multi-epitope vaccine is designed using in silico tools that potentially trigger both CD4 and CD8 T-cell immune responses against the novel Coronavirus. The vaccine candidate was designed using B and T-cell epitopes that can act as an immunogen and elicits immune response in the host system. NCBI was used for the retrieval of surface spike glycoprotein, of novel corona virus (SARS-CoV-2) strains. VaxiJen server screens the most important immunogen of all the proteins and IEDB server gives the prediction and analysis of B and T cell epitopes. Final vaccine construct was designed in silico composed of 425 amino acids including the 50S ribosomal protein adjuvant and the construct was computationally validated in terms of antigenicity, allergenicity and stability on considering all critical parameters into consideration. The results subjected to the modeling and docking studies of vaccine were validated. Molecular docking study revealed the protein-protein binding interactions between the vaccine construct and TLR-3 immune receptor. The MD simulations confirmed stability of the bin...Continue Reading

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Citations

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Jan 20, 2021·Advanced Drug Delivery Reviews·Muhammad Saqib SohailMatthew R McKay
Jul 19, 2020·International Journal of Biological Macromolecules·Samira SanamiMorteza Alizadeh
Jul 20, 2020·Infection, Genetics and Evolution : Journal of Molecular Epidemiology and Evolutionary Genetics in Infectious Diseases·Sargol AminnezhadMahboobe Zarrabi
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Methods Mentioned

BETA
X-ray
NMR
in silico methods

Software Mentioned

Prosol
Ligplus
ToxinPred
SPDB
SPBD viewer
AllerTOP
GROMACS
SnapGene
protsol
PSIPRED

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