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Synthesis, structure and antibacterial activity of dinitrosyl iron complexes (DNICs) dimers functionalized with 5-(nitrophenyl) -4-H-1,2,4-triazole-3-thiolylsстатья
Информация о цитировании статьи получена из
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 11 мая 2022 г.
- Авторы: Sanina Nataliya A., Yakuschenko Igor K., Gadomskii Svyatoslav Ya, Utenyshev Andrei N., Dorovatovskii Pavel V., Lazarenko Vladimir A., Emeleyanova Nina S., Zagainova Evgeniya A., Ovanesyan Nikolai S., Mumyatova Victoriya A., Balakina Anastasiya A., Terentev Alexey A., Aldoshin Sergey M.
- Журнал: Polyhedron
- Том: 220
- Год издания: 2022
- Издательство: Pergamon Press
- Местоположение издательства: United States
- Первая страница: 115822
- DOI: 10.1016/j.poly.2022.115822
- Аннотация: This work aims at the synthesis and investigation of a new series of antibacterial agents, viz dimers of dinitrosyl iron complexes (DNICs) of [Fe2(SR)2(NO)4] composition, where R is 5-(2-nitrophenyl)-4-H-1,2,4-triazole-3-thiolyl(I), 5-(3-nitrophenyl)-4-H-1,2,4-triazole-3-thiolyl (II), 5-(4-nitrophenyl)-4-H-1,2,4-triazole-3-thiolyl (III), that are nitric oxide (NO) donors, easily obtained by replacement of thiosulfate ligands in [Fe(S2O3)2(NO)2]2- anion. Based on investigation of the structures of I and its isostructural analogs II and III (X-ray analysis, quantum-chemical calculations in the frame of DFT using NBO and QTAIM methods), data have been obtained on molecular interactions stabilizing DNIC dimer of μ–N–C–S structural type functionalized by 5-(2-nitrophenyl)-4- H-1,2,4-triazole-3-thiolyl. NBO calculations provided the assessment of bond energy for the Fe-S and Fe-N bonds incorporated in the μ–N–C–S bridge. From QTAIM analysis, detailed information on the nature and covalence of the forming bonds has been obtained. Assessment of antibacterial activity of I-III with respect to gram-negative (Escherichia coli) and gram-positive (Micrococcus luteus) bacteria has been performed.
- Добавил в систему: Алдошин Сергей Михайлович