Structural elucidation, voltammetric detection of dopamine, molecular docking and biological inspection of novel 4-aminoantipyrine derived Schiff bases in Co (II), Ni (II) and Cu (II) complexes

1,5-dimethyl-2-phenyl-4-{[(E)-(4-phenyl-1H-pyrazol-3-yl) methylidene] amino}-1, 2-dihydro-3H-pyrazol-3-one (DPD) is a new ligand that has been synthesized along with its Co (II), Ni (II), and Cu (II) complexes. H-1, C-13, IR, Uv-visible, mass spectra, magnetic susceptibility, TGA, SEM and PXRD analysis/method have all been employed to study as well as to investigate the structures of synthesized substances. Octahedral geometries have been suggested for Co (II) and Cu (II) complexes based on spectral evidence, whereas Ni (II) complexes showcase square pyramidal geometry. The redox behavior of MWCNT-[Co(DPD)(2)Cl-2]/GCE complex was evaluated via cyclic voltammogram, it was noticed that the physico-chemical characterization of modified electrode displayed admirable results with a long linear range 0.2-1.5 mu M/L, sensitivity 1.65 mu A mu M-1 cm(-2) and the found limit of detection is 0.066 mu molL 1. The modified electrode performed better, was more stable and demonstrated remarkable recreatability and replicability. The antibacterial activities of the ligand and its metal complexes were investigated through the agar well diffusion method against S.aureus, B.licheniformis, A.Sp and P.aeruginosa as well as antifungal P.expansum, A.flavus strains. Furthermore, the antioxidant and cytotoxic activity on three different cell lines (Hela, Hep G2 and P53) have been studied where Co(II), Ni(II) complexes were seen to have fine cytotoxicity against individual cancerous cell lines. Molecular docking was carried out on the active site of 2VIF and revealed good results.

Automated summary

In this study, a new ligand DPD and its Co (II), Ni (II), and Cu (II) complexes were synthesized and their structures were investigated using various analysis methods. The oxidation behavior of the modified electrode was evaluated using cyclic voltammetry, which showed excellent performance. Furthermore, the antibacterial, antioxidant, and cytotoxic activities of the ligand and complexes were studied.