Identification of Der p1 inhibitors: Combining AI-based QSAR, molecular docking, molecular dynamics simulations and quantum physics.
Immunotoxins represent promising therapeutics; they can be used as allergen-specific therapies. Der p1 is a major allergen produced by the house dust mite Dermatophagoides pteronyssinus responsible for allergic asthma and other allergic diseases. In spite of clinical relatedness, no therapies have been approved at the...