Тип публикации: статья из журнала

Год издания: 2025

Идентификатор DOI: 10.31489/2959-0663/2-25-5

Ключевые слова: complexation, copper, diketone, atomic emission spectroscopy, mass spectrometry, IR spectroscopy, chelate, complex compound

Аннотация: Chelate complexes of copper(II) are widely used today in various sectors of the national economy, including medicine and pharmacology, biotechnology and agriculture, catalysis, and materials science. Pyridyl-containing β-diketones possess unique properties and can act as chelating ligands for metals, making them promising candidateПоказать полностьюs for the development of metal-based pharmaceutical compounds. Therefore, the development and discovery of new copper(II) chelate complexes are of great interest and practical significance. In this work, new copper(II) chelate complexes of pyridyl-containing beta-diketonates were synthesized for the first time. Complexation between pyridyl-containing β-diketones and copper(II) acetate with molar ratio 2:1 was carried out in ethanol at a temperature not exceeding 50 ºC for 1 hour, with the yield of products IIIa-d ranging from 8.5 % to 31.3 %. The synthesized complexes were characterized using IR spectroscopy, atomic emission spectroscopy, and mass spectrometry, as well as DFT calculations, PASS prediction, and molecular docking. It was shown that all synthesized chelates exhibit biological activity as nicotinic receptor antagonists, with Pa values ranging from 0.821 to 0.915, and as dehydro-L-gulonate decarboxylase inhibitors, with Pa values exceeding 0.75. Molecular docking simulations with the alpha2 nicotinic acetylcholine receptor (PDB ID: 5FJV) confirmed high potential of synthesized chelates as nicotinic receptor antagonists and they can be recommended for further evaluation of therapeutic relevance through in vitro and in vivo studies.

Журнал: Eurasian Journal of Chemistry

Выпуск журнала: Т. 30, № 2

Номера страниц: 4-18

ISSN журнала: 29590663

Место издания: Karaganda

Издатель: Карагандинский университет им. акад. Е.А. Букетова

• Kukushkin Alexey A. (Siberian Federal University)
• Kudashova Elizaveta V. (Siberian State University of Science and Technology named after Academician M.F. Reshetneva)
• Root Evgeny V. (Krasnoyarsk State Medical University named after Professor V.F. Voino-Yasenetsky University)
• Kositsyna Anna S. (Siberian State University of Science and Technology named after Academician M.F. Reshetneva)
• Ponomarev Ilya S. (Institute of Chemistry and Chemical Technology Siberian Branch of the Russian Academy of Sciences)
• Lyubyashkin Alexey V. (Siberian State University of Science and Technology named after Academician M.F. Reshetneva)
• Pustolaikina Irina A. (Karaganda Buketov University)

• Ядро РИНЦ (eLIBRARY.RU)