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

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Abstract

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.

About the authors

A. M Yurtaeva

Voronezh State University

Email: akonite@bk.ru
Voronezh, Russia

A. A Badalov

Institute of Cell Biophysics, Russian Academy of Sciences

Pushchino, Moscow Region, Russia

M. S Kondratyev

Institute of Cell Biophysics, Russian Academy of Sciences

Pushchino, Moscow Region, Russia

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