Copper 4-chlorobenzoate with isonicotinamide: synthesis, crystal structure, optical characterization and anticancer and cytotoxic properties

In this study, a new metal complex, bis( μ -4-chlorobenzoato-κ 2 O:O′)bis[(4-chlorobenzoato-κ 2 O:O′-bis(isonicotinamide-κN)copper(II)] ( 1 ), was synthesized. The crystal structures of the complex were determined by single-crystal XRD. In addition, the structure was characterized by elemental analysis and FTIR spectroscopy. The intermolecular interactions of the complex were determined by Hirshfeld surface analysis. The optical and fluorescence properties of the complex were recorded with the help of UV–Vis and fluorescence spectrophotometer. In addition, the anticarcinogenic effects of the complex on DLD-1, MCF-7 and PC-3 cell lines and their cytotoxic properties on human lymphocyte cells were investigated by (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) method. The complex has a dimeric structure. The intermolecular interactions that contribute the most to the crystal structure are H⋯H, O⋯H/H⋯O and H⋯C/C⋯H interactions. The complex was exhibited broad emission peaks between 350 and 550 nm. It was determined that the complexes did not cause cytotoxic effects on lymphocyte cells. Complex 1 caused a strong cytotoxic effect on DLD-1 colon cancer cells. The complex was determined to cause low cytotoxicity on MCF-7 and PC-3 cells. The interactions of the complex with synthetic DNA dodecamer were investigated by molecular docking. It has been determined that the complex inhibits these proteins through hydrophobic, electrostatic and non-covalent interactions.