Computational hypothesis explores IgE-independent mast-cell activation by food and pollen allergens, suggesting novel mechanisms.
Key Points
This research aims to investigate how certain food and pollen allergens activate mast cells independently of IgE mechanisms through the MRGPRX2 receptor.
Eleven allergens were docked against the MRGPRX2 structure using HADDOCK3.
Three agonists were tested to establish thresholds for D184 salt-bridge consistency.
In silico mutagenesis assessed the role of residue D184 in allergen engagement.
Five allergens showed HIGH consistency in engaging the D184 salt bridge (≥2/3), while one was MODERATE and another did not engage.
Engagement was determined by the accessibility of specific residues rather than overall charge.
Non-allergen proteins also formed D184 salt bridges, indicating the importance of local residue accessibility.