Analysis of epitopes and structural responses in egg allergen Gal d 1 using bioinformatic tools and molecular dynamics simulation
Tao Wang, Lili Zhang, Vijaya Raghavan, Yan Liu, Jin Wang
Abstract
Egg allergy is a growing concern worldwide. Investigating the allergenic and molecular characteristics of egg allergen Ovomucoid (Gal d 1) can enhance our understanding of egg allergies. In this study, the B-cell linear epitopes of Gal d 1 were predicted by using different bioinformatic tools, based on the primary sequence properties of Gal d 1, and obtained 10 potential B-cell linear epitopes. Meanwhile, we conducted molecular dynamics (MD) simulations to apply thermal and an oscillating electric field treatments to Gal d 1 in order to comprehend the structural alterations of Gal d 1 intuitively. The results indicated that Gal d 1 was a thermally stable protein, while the secondary structure and surface characteristics of Gal d 1 were obviously influenced by the combination of thermal stress and electric field, which finally resulted in conformational changes. This study provided a new way to understand the development of hypoallergenic egg products.