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OJBTM
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
ABSTRACT
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.