Synthesis, characterization, theoretical, molecular docking and in vitrobiological activity studies of Ru(II) (η6-p-cymene) complexes with novel aniline substituted aroyl selenoureas

AbstractA sequence of aroyl selenourea ligands (L1–L3)substituted by aniline and their Ru(II) (η6-p-cymene) complexes (1-3), [Ru(II) (η6-p-cymene) L] (L = monodentate aroyl selenourea ligand) have been synthesized and characterized the composition of the ligands and their metal complexes. The molecular structures of ligand L1and complex 3were also confirmed by single XRD crystal method. The single-crystal XRD study showed that aroyl selenourea ligand coordinates with Ru viaSe novel neutral monodentate atom. In vitroDNA interaction studies were investigated by Fluorescence and UV-Visible spectroscopic methods which showed that the intercalative mode of binding is in the order of 1 > 2 > 3with Ru(II) (η6-p-cymene) complexes. Spectroscopic methods have been used for measuring the binding affinity of bovine serum albumin to complex. Moreover, the cytotoxic study of complexes (1–3)were evaluated against HeLa S3, A549, and IMR90 cells, resulting in complexes 1and 2showed promising cytotoxic activity against HeLa S3 cell with IC50values of 24 and 26 µM, respectively. Also, the morphological changes of HeLa S3 and A549 cells were confirmed by fluorescence microscope in the presence of complexes 1and 2using AO (acridine orange, 200 µM) and EB (ethidium bromide, 100 µM). In addition, the docking results strongly support the protein binding studies of the complexes.Communicated by Ramaswamy H. Sarma