Preparation, physicochemical, anticancer, and theoretical studies of mono‐ and bi‐nuclear Ni(II), Co(II), and Cd(II) complexes containing chromone moiety

• Published in: Applied organometallic chemistry Vol. 38; no. 9
• Main Authors: Shebl, Magdy, Adly, Omima M. I., Abdelrhman, Ebtesam M., El‐Shetary, Basheir
• Format: Journal Article
• Language: English
• Published: Chichester Wiley Subscription Services, Inc 01.09.2024
• Subjects: 3‐Formylchromone complexes; Anticancer properties; antitumor activity; Cadmium; Cadmium compounds; Cancer; Chelates; Density functional theory; Hydrazones; Molecular docking; molecular modeling; Nickel; Parameter estimation; Schiff bases; Thermal degradation
• ISSN: 0268-2605; 1099-0739
• DOI: 10.1002/aoc.7634

Reactions of a chromone‐based hydrazone (SalHFC; HL) with Ni(II), Co(II), and Cd(II) ions yielded new solid chelates with the general formula [M(L)X].nZ, M = Ni(II), Co(II) and Cd(II), X = NO3− or OAc−, n = 0.5–2, Z = H2O or EtOH for complexes 1, 3, 4, 6, 7, 8 and [M2(L)(OAc)3X].0.5EtOH.nH2O, M = Ni(II) and Co(II), X = H2O or EtOH, n = 1 or zero for complexes 2 and 5. The synthesized chelates have been successfully characterized by means of different analytical and spectroscopic tools. SalHFC performs as a monoanionic tridentate in all chelates except chelate 2 and 5 (monoanionic tetradentate). Molar conductivity measurements demonstrated a non‐electrolytic manner of all chelates. Nickel(II) and cobalt(II)‐SalHFC chelates displayed tetrahedral geometries whereas cadmium(II) chelates (7 and 8) were octahedral. TG was employed to inspect the thermal degradation patterns of SalHFC‐complexes, and the Coats‐Redfern equations were employed to estimate the kinetic parameters of the thermal degradation steps. Density functional theory (DFT) level implementation in the Gaussian 09 program at B3LYP/6‐311G(d,p) level was efficaciously used to predict the molecular structural properties of SalHFC and its chelates and the theoretical data and experimental findings were then integrated. SalHFC and its chelates displayed anticancer action against the HepG2 cell line and the results were verified by molecular docking studies. New mono‐ and bimetallic Ni(II), Co(II), and Cd(II) complexes of a hyrdazone ligand (SalHFC) were synthesized. Nickel(II) and cobalt(II)‐SalHFC complexes displayed tetrahedral geometries whereas cadmium(II) complexes were octahedral. SalHFC and its complexes showed antitumor activity against HepG2 cell line