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<p>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.</p>

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

  • 期刊论文

  • 发表日期：

    2025年6月1日

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  • A. M. Yurtaeva,
  • A. A. Badalov,
  • M. S. Kondratyev

摘要

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.