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B-cell and T-cell epitope identification with stability analysis of AI-2 import ATP-binding cassette LsrA from S. typhiIn silico approach
- Vijayababu, Princy, Samykannu, Gopinath, Antonyraj, Christian Bharathi, Narayanan, SundaraBaalaji, Basheer Ahamed, Syed Ibrahim, Perumal, Perumal, Piramanayagam, Shanmughavel
- Microbial pathogenesis 2018 v.123 pp. 487-495
- ABC transporters, B-lymphocytes, Gram-negative bacteria, Salmonella Typhi, T-lymphocytes, alleles, binding sites, disease severity, epitopes, humans, major histocompatibility complex, pathogens, simulation models, subunit vaccines, typhoid fever
- Typhoid fever is a severe illness in humans, caused by Salmonella typhi, a Gram-negative bacterium. Membrane proteins of S. typhi have strong potential for its use in development of subunit vaccine against typhoid. In current study, peptide-based subunit vaccine constructed from AI-2 import ATP-binding cassette transporter protein (LsrA) against S. typhi. B-cell and T-cell epitopes were identified at fold level with validated 3-D theoretical modelled structure. T-cell epitope from LsrA (LELPGSRPQ) has binds to maximum number (82.93%) of MHC class I and class II alleles. LsrA epitope was docked with HLA-DR4 and contact map were constructed to analyze molecular interaction (docking) studies. Simulation search for the binding site for full flexibility of the peptide from CABS-dock shows the stable interactions. MD simulation analysis reveals that LsrA epitope was binding and interacting firmly with the HLA-DR4. Hence, we are proposing that LsrA epitope would be a prominent epitope vaccine for human specific pathogen of S. typhi, which requires further steps to be elevated as a vaccine drug in near future.