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Modeling and Analysis of AG:IGE Interface of House Dust Mite Allergens of Group 1
Published: 01 February 2018 by MDPI AG in Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition in MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition
MDPI AG, 10.3390/mol2net-04-05125

In Peru, 20-28% of people has hypersensitivity to allergens; of these 80% are sensible to at least one house dust mite. The immunotherapy is based on the administration of increasing doses of protein extracts or purified proteins of allergens. These treatments seem to be effective in some cases but still we do not have yet an equilibrium between stability, specificity and immunogenicity. This work analyzes in silico models of antigen-antibody of house dust mite allergens of group 1 of Acarus siro, Euroglyphus maynei, Sarcoptes scabiei y Tyrophagus putrescentiae. We obtained structural in silico models using I-tasser. The assymetric unit of 4PP1 is formed by two DerP1:Fab5H8 complexes; to generate interfaces models we replaced chain A by the allergen model in analysis. Then, we minimized the potential energy using the Steepest Descent algorithm and finally we analyzed the interactions in the allergen:IgE interface.

We were able to identify three antibody aminoacids interacting with the four allergens in study (Tyr32, Tyr50, Lys92), one that interacts with SarS1 and TyrP1 and others six that interact only with EurM1 and AcaS1. Our results show the identification of possible regions important in the recognition of group 1 allergens, also we show other aminoacids that could recognize specifically a subgroup of these allergens.

Keywords: Antibody, Dust Mite, house dust, IgE, immunogenicity, immunotherapy, mite allergens, Peru, protein extracts

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