From Chemistry Towards Technology Step-By-Step From Chemistry Towards Technology Step-By-Step От химии к технологии шаг за шагом 2782-1900 104795 10.52957/2782-1900-2025-6-3-142-154 Научные статьи Scientific articles Научные статьи Synthesis and study of the biological activity of spirocarbon and its complexes with cations of transition elements Synthesis and study of the biological activity of spirocarbon and its complexes with cations of transition elements Шубина Анна Александровна Shubina Anna Aleksandrovna annashubina100@gmail.com Орлова Татьяна Николаевна Orlova Tatyana Nikolaevna orl@bio.uniyar.ac.ru

кандидат химических наук;

candidate of chemical sciences;

 Орлов Владимир Юрьевич Orlov Vladimir Yur'evich eagle0802@mail.ru

доктор химических наук;

doctor of chemical sciences;

 Ярославский государственный университет Ярославль Россия Yaroslavl State University Yaroslavl Russian Federation Ярославский государственный университет Ярославль Россия Yaroslavl State University Yaroslavl Russian Federation Ярославский государственный университет им. П.Г. Демидова P.G. Demidov Yaroslavl State University 30 09 2025 30 09 2025 6 3 142 154 23 07 2025 09 09 2025 https://ystu.editorum.ru/en/nauka/article/104795/view

The synthesis of the ligand – spirocarbon (4,4,10,10-tetramethyl-1,3,7,9-tetraazaspiro[5.5]undecane-2,8-dione) – and its coordination compounds with transition metal cations (Co2+, Cd2+, La3+, Cu2+, Zn2+, Mn2+) has been conducted. The formation of the coordination compounds was confirmed by IR and UV spectroscopy. The electronic spectra of the complexes recorded a bathochromic shift of the band corresponding to the ligand along and the appearance of new absorption maxima in the long-wavelength region. According to molecular docking results, the identified biological target - α-synuclein - binds to the ligand (spirocarbon) via hydrogen bonds between the oxygen and hydrogen atoms of the amide group of 4,4,10,10-tetramethyl-1,3,7,9-tetraazaspiro[5.5]undecane-2,8-dione and the hydrogen and oxygen atoms of the amino acid residues of the protein. The dependence of the spirocarbon complexes lipophilicity on the pH of the medium was investigated.

The synthesis of the ligand – spirocarbon (4,4,10,10-tetramethyl-1,3,7,9-tetraazaspiro[5.5]undecane-2,8-dione) – and its coordination compounds with transition metal cations (Co2+, Cd2+, La3+, Cu2+, Zn2+, Mn2+) has been conducted. The formation of the coordination compounds was confirmed by IR and UV spectroscopy. The electronic spectra of the complexes recorded a bathochromic shift of the band corresponding to the ligand along and the appearance of new absorption maxima in the long-wavelength region. According to molecular docking results, the identified biological target - α-synuclein - binds to the ligand (spirocarbon) via hydrogen bonds between the oxygen and hydrogen atoms of the amide group of 4,4,10,10-tetramethyl-1,3,7,9-tetraazaspiro[5.5]undecane-2,8-dione and the hydrogen and oxygen atoms of the amino acid residues of the protein. The dependence of the spirocarbon complexes lipophilicity on the pH of the medium was investigated.

 spirocarbon IR spectroscopy electronic spectroscopy transition metals complexation PASS online molecular docking spirocarbon IR spectroscopy electronic spectroscopy transition metals complexation PASS online molecular docking

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