Affiliation:
1. Department of Botany, Laboratory of Cell and Molecular Biology, Centre of Advanced Study, University of Calcutta,
Kolkata 700019, India
Abstract
Background:
The sudden appearance of the SARS-CoV2 virus has almost changed the future
of vaccine development. There have been many different approaches to vaccination; among them,
computational vaccinology in the form of multi-epitope vaccines with excellent immunological properties
and minimal contamination or other adverse reactions has emerged as a promising strategy with
a lot of room for further study in this area.
Objective:
Designing a multi-epitope vaccine from the spike protein of SARS-CoV2 based on immunoinformatics
and in-silico techniques. Evaluating the binding affinity of the constructed vaccine
against the major variants of concern (alpha, beta, delta, and omicron) using docking studies.
Method:
The potential antigenic, immunogenic, and non-allergic T-cell epitopes were thoroughly explored
using IEDB, NetCTL1.2, and NetMHCII pan 3.2 servers. The best suitable linker was identified
using the ExPASy Protparam tool and VERIFY 3D. The 3D model of the vaccine was developed
by RaptorX and the model was validated using ERRAT, Z-score, and Ramachandran Plot. Docking
studies of the vaccine with TLR-2, 3, 4, and 7 and alpha, beta, delta, and omicron variants were performed
using HADDOCK 2.4.
Results:
The vaccine construct showed good antigenic and immunogenic scores and was non-allergic
as well. The model was capable of binding to all four selected Toll-like receptors. Docking scores with
variants were also promising.
Conclusion:
All the variants showed good binding ability with the vaccine construct. Interaction with
the alpha variant was found to be the most intense, followed by delta, beta, and omicron.
Publisher
Bentham Science Publishers Ltd.
Cited by
1 articles.
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