Investigation of H1-Histamine Receptor Binding Patterns to Antidepressants and New Allergy Drugs

Using the methods of computational chemistry – quantum–chemical methods and flexible docking – the peculiarities of the spatial organization of protein-ligand complexes formed as a result of binding of the H1-histamine receptor to a set of drugs were investigated. Representatives of antihistamine drugs of different generations, a drug belonging to the group of antiemetics, as well as several representatives of the class of tricyclic antidepressants with a pronounced antihistamine effect were chosen for the study. The results of the study can potentially be used for the development of new-generation antihistamines.