Collaboration between 3d-4f metal centers of heterodimetallic Ni(II)-Gd(III) complex in catecholase activity and interaction with FS-DNA & BSA. (15th May 2022)

• Record Type: Journal Article
• Authors: Keshavarzian, Elahe; Asadi, Zahra; Kucerakova, Monika; Dusek, Michal; Rastegari, Banafsheh
• Is Part Of: Polyhedron. Volume 218(2022)
• Publication Date: 2022-05-15
• Subjects: Ni-Gd complex -- O-vanillin -- Catecholase activity -- DNA & BSA binding -- Molecular docking; Chemistry, Inorganic -- Periodicals; Chimie inorganique -- Périodiques; Organometaalverbindingen; Anorganische chemie; 546.05
• DOI: 10.1016/j.poly.2022.115758
• Languages: English
• ISSNs: 0277-5387

Abstract

Graphical abstract: In this study, a new Ni II -Gd III (3d-4f) complex was synthesised using the building block approach. The catecholase activity and experimental and docking studies of its FS-DNA/BSA interaction were investigated. Biological genotoxicity and cytotoxicity of the complex were reported. Abstract: In this study, catecholase activity and biomolecular interaction of a new heterodimetallic Ni(II)-Gd(III) complex were reported. X-ray crystallography revealed that in the [(valdap)2 Ni II Gd III (O2 NO)3 ] complex, (H- valdap = 2-(((3 aminopropyl)imino)methyl)-6-methoxyphenol), inner (N2 O2 ) and outer (O2 O'2 ) compartments could be distinguished, the former containing 3d Ni II ion, and the latter accommodating the larger 4f Gd III . Besides the crystallography, UV-Vis, IR spectroscopy and elemental analysis confirmed the structure. Method of initial rate by using UV-Vis spectroscopy was used to explore the catecholase activity of the complex. The Ni-Gd complex had an acceptable turnover number for this process. Various experimental methods like fluorescence and UV-Vis spectroscopy, cyclic voltammetry (CV), and viscosity measurements were applied to survey the interaction of the Ni-Gd complex with FS-DNA. Intercalation mode was suggested from these methods as the main mode of binding. Fluorescence quenching experiment, site marker studies, synchronous fluorescence and UV-Vis absorption spectroscopy were other techniques for finding the mechanism, type, site and extent of complex-BSA interaction. The dynamic mechanism was confirmed for this system, and the Ni-Gd complex mostly preferred site I of BSA with hydrophobic type of interaction. Theoretical docking studies were done to investigate the complex-biomolecule interaction, and results confirmed experimental investigations. The in vitro genotoxicity of the Ni-Gd complex was also done that indicated the intercalation affinity of the complex. The antineoplastic ability and basal cell toxicity of the Ni-Gd complex were also examined against two cancer cell lines, MCF-7 and A549. The complex showed anticancer activity against both of the cell lines.