Optimization for synthesized quinoline-based Cr3+, VO2+, Zn2+ and Pd2+complexes: DNA interaction, biological assay and in-silico treatments for verification

A novel momonuclear metal chelates were derived from Zn(II), Pd(II), VO(II) and Cr(III) ions with azomethine (BSQ) [BSQ = 4-Bromo-2-(quinolin-8-yliminomethyl)-phenol] ligand. The prepared compounds were subjected to different analytical and spectroscopic techniques as, IR, (1H) NMR, UV-Vis, molar conductivity, magnetic moment and thermogravimetric analysis (TGA) to elucidate their structures. Accordingly, the most fitted geometry has been suggested for each complex. The ligand acts as a tridentate via NNO donors towards the metal ions inside octahedral geometry with Cr3+, square pyramidal with VO2+, tetrahedral with Zn2+ and square planner with Pd2+ ion. Thermo-kinetic parameters for the complexes have been determined and the values suggest the presence of ordered activated complexes. The reactivity of new compounds towards DNA was examined by different methods and the binding kinds seem to electrostatic, intercalation, or replacement. Also, in-vitro antimicrobial and anticancer potency of the compounds were evaluated. In addition, the therapeutic behavior of the complexes appeared promising towards breast cancer cells (MCF-7) in a concentration-dependent manner. Moreover, the redox potential of the newly synthesized compounds was evaluated and the results reflect suitability of Pd(II) complex in controlling the free radicals. Variable theoretical treatments were performed aiming to confirm the structural formulae as well as the biological assay results. A promising antimicrobial and anticancer behavior was recorded with Pd( II) complex (BSQPd) via in-vitro and insilico ways. (C) 2021 Elsevier B.V. All rights reserved.

Automated summary

A novel momonuclear metal chelates were synthesized and characterized using azomethine ligand with Zn(II), Pd(II), VO(II) and Cr(III) ions, and their structures were elucidated by various analytical and spectroscopic techniques. The complexes showed promising antimicrobial and anticancer behavior, with Pd(II) complex exhibiting potential in controlling free radicals. The reactivity towards DNA binding, in-vitro antimicrobial activity, and anticancer potency of the new compounds were also investigated.