Novel Bipyridine-based Cobalt (II) Complexes: Synthesis, Characterization, Molecular Docking, DNA-Binding and Biological Evaluation

Introduction and Aims: Bipyridine derivatives have shown different applications in chemistry such as electron transfer, catalysis, biological systems and artificial photosynthesis.Materials and Methods: Two cobalt (II) complexes with formula [Co(۵,۵ -dmbipy)۲(NCS)۲] ۱, and [Co(۵,۵ - dmbipy)۳] [Co (NCS)۴] ۲, were prepared and characterized through FT-IR, electronic absorption, elemental analysis and ۱H-NMR. The interaction of complexes ۱ and ۲ with FS-DNA was investigated by fluorescence, UV-Vis and gel electrophoresis. The antibacterial properties have been studied in-vitro against two gram-negative and two gram-positive bacterial strains. The synthesized complexes were further investigated against MCF-۷cells at different concentrations.Results: The results revealed that the metal complexes can bind effectively to FS-DNA. The measuredthermodynamic factors like (ΔHº, ΔSº and ΔGº) displayed that hydrogen bonding, van der Waals forces (DNA-compound ۱)and electrostatic binding (DNA-compound ۲) are the most important interactions. Viscosity measurement showed that specific viscosity of FS-DNA remained without significant changes while the concentration of complexes ۱ and ۲ increase. Molecular docking results illustrate the binding sites and binding modes that are in acceptable agreement with experimental results. The biological results determined that complexes ۱ and ۲ exhibit antibacterial activities which are better than those are shown for their corresponding metal salt and free ligand. The target compounds showed low to moderate cytotoxicity activities. The obtained results revealed that the synthesized complexes are stronger antibacterial agents against the gram-positive than gram-negative bacteria. Conclusion: In the present study, for the first time we reported two Co (II) complexes bearing ۵'۵ -dimethyl-۲'۲ -bipyridine ligands.

کلیدواژه ها:

Co (II) complex ، ۵ ، ۵ʹ-dimethyl-۲ ، ۲ʹ-bipyridine ، DNA-binding ، cytotoxicity