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 Online Journal of Bioinformatics  

  Volume 15 (2): 178-190, 2014.

In silico identification of B- and T-cell epitopes from a new wheat associated (Triticum aestivum) allergen, Tri a 37


Mohammad Tuhin Ali1*; Parag Palit1; Shihab Hasan2,3


1Department of Biochemistry & Molecular Biology, University of Dhaka, Dhaka, Bangladesh, 2Bioinformatics Lab, QIMR Berghofer Medical Research Institute, Brisbane, Queensland, Australia, 3School of Medicine, The University of Queensland (UQ), Brisbane, Queensland, Australia




Tuhin Ali M, Palit P, Hasan S., In silico identification of B- and T-cell epitopes from a new wheat associated (Triticum aestivum) allergen, Tri a 37, Onl J Bioinform., 15 (2): 178-190, 2014. Despite wheat and wheat products being major components in human diet, avoidance is currently the only remedy for wheat associated food allergy. Epitope identification hence can be a tool of high importance in developing new epitope based peptide therapy against wheat allergens. The present study focuses on applying in silico tools for identifying the B and T-cell epitopes of alpha-Purothionin, a new wheat allergen that is associated with severe allergy. Different immuno-informatics tools from IEDB analysis resource were used to check the potential B and T-cell epitopes. For B-cell epitope prediction we used different propensity scales and machine learning methods, with the results being mapped on their 3D structure predicted by homology modeling. The frequency of interaction between the protein sequences and MHC II alleles within an IC50 range (IC50 <25) was the basis for T cell epitope prediction. A total of five B-cell and eight T-cell epitopes were finally chosen. Among the T-cell epitopes, The CLLILGLVL epitope was the most successful which was found to be present at the N-terminal region of the core sequence. The most potent B-cell epitope, LESNSDEPDTI was seen to be present at the C-terminal region, indicating the importance of this region to induce IgE mediated response against wheat allergen.


Keywords: Allergens; alpha purothionin; epitope; HLA ligand; Anaphylaxis.