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Combinatorial Chemistry & High Throughput Screening

Author(s): Praveen K.P. Krishnamoorthy*, Sekar Subasree, Udhayachandran Arthi, Mohammad Mobashir, Chirag Gowda and Prasanna D. Revanasiddappa

DOI: 10.2174/1386207323666200427114343

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T-cell Epitope-based Vaccine Design for Nipah Virus by Reverse Vaccinology Approach

Page: [788 - 796] Pages: 9

  • * (Excluding Mailing and Handling)

Abstract

Aim and Objective: Nipah virus (NiV) is a zoonotic virus of the paramyxovirus family that sporadically breaks out from livestock and spreads in humans through breathing resulting in an indication of encephalitis syndrome. In the current study, T cell epitopes with the NiV W protein antigens were predicted.

Materials and Methods: Modelling of unavailable 3D structure of W protein followed by docking studies of respective Human MHC - class I and MHC - class II alleles predicted was carried out for the highest binding rates. In the computational analysis, epitopes were assessed for immunogenicity, conservation, and toxicity analysis. T – cell-based vaccine development against NiV was screened for eight epitopes of Indian - Asian origin.

Results: Two epitopes, SPVIAEHYY and LVNDGLNII, have been screened and selected for further docking study based on toxicity and conservancy analyses. These epitopes showed a significant score of -1.19 kcal/mol and 0.15 kcal/mol with HLA- B*35:03 and HLA- DRB1 * 07:03, respectively by using allele - Class I and Class II from AutoDock. These two peptides predicted by the reverse vaccinology approach are likely to induce immune response mediated by T – cells.

Conclusion: Simulation using GROMACS has revealed that LVNDGLNII epitope forms a more stable complex with HLA molecule and will be useful in developing the epitope-based Nipah virus vaccine.

Keywords: Nipah, vaccination, immunogenicity, conservation, toxicity, docking, simulation.

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