Structural motifs in the Cu(II), Mn(II) and Zn(II) complexes based on N,N,N-donor dipodal or N,N,N,N-donor tripodal ligands obtained in situ: Synthesis, crystal structures and xanthine oxidase inhibition properties

Joanna Masternak; Małgorzata Zienkiewicz-Machnik; Katarzyna Kazimierczuk; Barbara Barszcz

doi:10.1016/j.poly.2017.12.012

Structural motifs in the Cu(II), Mn(II) and Zn(II) complexes based on N,N,N-donor dipodal or N,N,N,N-donor tripodal ligands obtained in situ: Synthesis, crystal structures and xanthine oxidase inhibition properties

Abstract

A series of four novel transition metal complexes, [Cu(NCS)2L1] (1), [Mn(NCS)2L1] (2) where L1 = bis(1-(3,5-dimethylpyrazolyl)methyl)amine, [Mn(NCS)2L2] (3) and [Zn(NCS)L2]2[Zn(NCS)4] (4) where L2 = tris(1-(3,5-dimethylpyrazolyl)methyl)amine, has been obtained in situ by a one-step, one-pot synthetic path starting from 1-hydroxymethyl-3,5-dimethylpyrazole (L). The isolated complexes were fully characterised by elemental analysis, spectroscopic (IR, UV-Vis, EPR) and magnetic methods. For compounds 1 and 4 the molecular and crystal structures were also determined. X-ray analysis revealed that depending on the synthetic procedure used for the preparation of the complexes during the condensation reaction between the starting pyrazole derivative and ammonia, different types of the multipodal ligands were achieved. The intermolecular interactions in 1 and 4 have been interpreted in view of the 3D Hirshfeld surface analysis and associated 2D fingerprint plots. Furthermore, the Cu(II) and Zn(II) complexes were tested as inhibitors of xanthine oxidase (XO). Both of compounds (1 and 4) acted as mixed-type inhibitors for XO. Additionally, the differences in inhibition activity of 1 and 4 complexes we try to confirm by molecular docking study.

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Authors (4)

Joanna Masternak dr
- Institute of Chemistry, Jan Kochanowski University in Kielce
Małgorzata Zienkiewicz-Machnik mgr
- Institute of Physical Chemistry, Polish Academy of Sciences, Warsaw, Poland
Katarzyna Kazimierczuk dr hab.
Barbara Barszcz dr hab.
- Institute of Chemistry, Jan Kochanowski University in Kielce

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Keywords

METAL COMPLEXESCRYSTAL STRUCTURESSPECTROSCOPIC STUDIESMOLECULAR DOCKING SIMULATION

Details

Category:: Articles
Type:: artykuł w czasopiśmie wyróżnionym w JCR
Published in:: POLYHEDRON no. 142, pages 93 - 104,
ISSN: 0277-5387
Language:: English
Publication year:: 2018
Bibliographic description:: Masternak J., Zienkiewicz-Machnik M., Kazimierczuk K., Barszcz B.: Structural motifs in the Cu(II), Mn(II) and Zn(II) complexes based on N,N,N-donor dipodal or N,N,N,N-donor tripodal ligands obtained in situ: Synthesis, crystal structures and xanthine oxidase inhibition properties// POLYHEDRON. -Vol. 142, (2018), s.93-104
DOI:: Digital Object Identifier (open in new tab) 10.1016/j.poly.2017.12.012
Verified by:: Gdańsk University of Technology