Kumar, Manish; Kumar, Gyanendra; Mogha, Navin Kumar; Jain, Ritu; Hussain, Firasat; Masram, Dhanraj T. published the artcile< Structure, DNA/proteins binding, docking and cytotoxicity studies of copper(II) complexes with the first quinolone drug nalidixic acid and 2,2'-dipyridylamine>, Quality Control of 366-18-7, the main research area is crystal structure copper nalidixate dipyridylamine; copper nalidixate dipyridylamine preparation DNA HSA BSA binding cytotoxicity; Copper complexes; Crystal structure; Cytotoxicity; DFT calculations; DNA and proteins binding studies; Molecular docking studies.
This work presents the synthesis, structural characterization and biol. affinity of the newly synthesized Cu(II) complexes with the 1st antibacterial quinolone drug nalidixic acid (nal) [Cu(nal)2(H2O)], (1) or N-donor ligand 2,2′-dipyridylamine (bipyam). [Cu(II)(nal)(bipyam)Cl], (2) reveals a distorted square pyramidal based geometry in Cu(II) atom confirmed by x-ray crystallog. technique. The theor. stabilities and optimized structures of the complex were obtained from DFT calculations The ability of the complexes to bind with calf thymus DNA (CT DNA) were studied by electronic absorption, fluorescence, CD, and viscosity measurements techniques. The complexes strongly interact with CT DNA via intercalative mode but complex 2 exhibits the highest affinity giving Kb = 3.91 ± 0.13 × 106, M-1. The fluorescence spectroscopy measurements show that both complexes have the superior ability to the replacement of EtBr from DNA-bound EtBr solution and bind to DNA through intercalative mode. Both complex also shows the superior affinity towards proteins with comparatively high binding constant values which were further revealed by fluorescence spectroscopy measurements. Mol. docking anal. indicates that the interaction of the complexes and proteins are stabilized by H bonding and hydrophobic interaction. Also, the results of in vitro cytotoxicity reveal that the complex 2 has excellent cytotoxicity than 1 against human breast cancer cell lines (MCF-7).
Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy published new progress about Antitumor agents. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Quality Control of 366-18-7.