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Accessing the T-Cell and B-Cell Immuno-Dominant Peptides from A.baumannii Biofilm Associated Protein (bap) as Vaccine Candidates: A Computational Approach

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Abstract

The present study is aimed to identify potent vaccine peptide candidates against bapAB protein in A.baumannii involved with the biofilm associated virulence using immune informatics approach. FASTA sequence of the bapAB protein from A.baumannii was subjected to assess druggability, physico-chemical analysis, IEDB T-cell mapping, class-1 immunogenicity, conservancy and toxigenicity evaluations together with class-II epitope predictions. Final selection of B-cell epitopes was done with IEDB B-cell epitope tool and final docking of the peptides were interpreted by hydrogen bonds and interaction scores with TLR-2. Promising scores on antigenicity, GRAVY, instability and aliphatic index were obtained. Based on the combinatorial scores, 9 peptides (20aa) were selected on the positive scores of class-I immunogenicity and 7 peptides possessed > 50% class-I conservancy. Class-II conservancy yielded 5 epitopes (E1-E5) with > 50% conservancy with final predictions as non-toxic, probable, soluble and stable antigens for vaccine design. Galaxy WEBDock with TLR-2 receptor showed promising interactions for all epitopes with E2 and E3 possessing a maximum hydrogen bond interactions (n = 13) followed by E1.

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Self-funded study.

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Authors and Affiliations

  1. Department of Microbiology, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences [SIMATS], Saveetha University, P.H.Road, Chennai, Tamilnadu, 600077, India

    A. S. Smiline Girija

  2. Department of Biotechnology, DG Vaishnav College, Chennai, 600 106, Tamilnadu, India

    G. Shoba

  3. BRULAC-DRC, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences [SIMATS], Saveetha University, P.H.Road, Chennai, Tamilnadu, 600077, India

    J Vijayashree Priyadharsini

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  1. A. S. Smiline Girija
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  2. G. Shoba
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  3. J Vijayashree Priyadharsini
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Correspondence to A. S. Smiline Girija.

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Girija, A.S.S., Shoba, G. & Priyadharsini, J.V. Accessing the T-Cell and B-Cell Immuno-Dominant Peptides from A.baumannii Biofilm Associated Protein (bap) as Vaccine Candidates: A Computational Approach. Int J Pept Res Ther 27, 37–45 (2021). https://doi.org/10.1007/s10989-020-10064-0

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  • DOI: https://doi.org/10.1007/s10989-020-10064-0

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