engleski

Molecular modelling of bioactive gluten peptides and related T-cell receptors

Celiac disease is a common autoimmune condition caused by a selective lack of T cell tolerance for gluten. We investigated an algorithm for the prediction of T cell stimulatory gluten peptides. The combined molecular modelling approach is based on the use of HLA DQ2 peptide binding motifs, the specificity of residues for tissue transglutaminase, and the reconstruction/prediction of the interacting T-cell receptor sequence by means of the Molecular Recognition Theory. Modelled bioactive peptide sequence was XQXPQXP and its predicted T-cell receptor target motif was heptapeptide PVHGVRG.

binding motif; celiac disease; gluten; HLA DQ2; molecular modelling; molecular recognition theory; peptide; T-cell receptor

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