New insights into antihistamine binding could lead to more effective treatments

Researchers at Tokyo University of Science have discovered why the Z-isomer of the antihistamine drug doxepin binds more effectively to the histamine H1 receptor (H1R) than the E-isomer. Using a new method to quantify binding affinity, they found the Z-isomer binds five times more strongly. This enhanced binding is due to the chemical environment in H1R’s binding pocket. Their findings could lead to the development of more effective and safer antihistamines by utilizing molecular dynamics simulations for drug design.

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