ChemistrySelect, Journal Year: 2024, Volume and Issue: 9(47)
Published: Dec. 1, 2024
Abstract This work presents the designing and characterization of two novel metal complexes derived from a Schiff base, N , ’‐ethane‐1,2‐diylbis[1‐(2‐chloroquinolin‐3‐yl)methanimine] (EBCQ), coordinated with Ni (II) (NiEBCQ), Cu (CuEBCQ). Structures complex derivatives were proposed utilizing variety analytical methods having elemental analysis, ultraviolet‐visible spectroscopy, mass infrared magnetic properties, conductivity measurement, thermal analysis. The obtained data revealed octahedral geometries for both NiEBCQ CuEBCQ complexes, denoted as [Ni(EBCQ)(H 2 O) (Cl) ] [Cu(EBCQ)(H ], respectively. Density functional theory computations employed confirming molecular structures exploring quantum chemical parameters EBCQ its derivatives. anti‐inflammatory results reveal that ligand NiEBCQ, CuEBCQ, exhibit varying degrees inhibition, showing highest potency. achieved 89.80% inhibition at 300 µM, an IC 50 value 86.38 indicating superior activity compared to ( 92.33 µM) 169.07 µM). In antioxidant assays, again showed most pronounced activity, achieving 74.16 outperforming 89.06 101.58 antibacterial tests confirmed complexes' superiority, particularly which displayed excellent against Bacillus cereus ligand. Molecular docking studies targeting specific proteins (5IKT human cyclo‐oxygenase‐2, 5IJT peroxiredoxin 2) performed assess binding affinities interactions propose promising potential application therapeutic agents diverse biological activities. Finally, effectiveness monitored opposed several Gram‐positive Gram‐negative bacteria.
Language: Английский