Find in Library

Copper(II) complexes with a general formula [Cu₂(3,4-F₂C₆H₃CH₂COO)₄(L)₂], where L = 2-methylpyridine (<b>1</b>) and 3-methylpyridine (<b>2</b>), are reported here. The FTIR spectra of the complexes confirmed the bridging bidentate coordination mode of the carboxylate ligand. The low (475 and 449 cm⁻¹) and strong (727 & 725 cm⁻¹) intensity bands in the FTIR spectra, due to Cu-N stretches and pyridyl ring vibrations, confirmed coordination of the 2-/3-methyl pyridine co-ligands in complexes <b>1</b> and <b>2</b>, respectively. A binuclear paddlewheel structural arrangement with a square pyramidal geometry was confirmed for copper atoms in the complexes via single-crystal X-ray analysis. The DPPH, ^•OH radical, and α-amylase enzyme inhibition assays showed higher activities for the complexes than for the free ligand acid. The binding constant (K_b = 1.32 × 10⁵ for <b>1</b> and 5.33 × 10⁵ for <b>2</b>) calculated via UV-VIS absorption measurements and docking scores (−6.59 for <b>1</b> and −7.43 for <b>2</b>) calculated via molecular docking showed higher SS-DNA binding potential for <b>2</b> compared to <b>1</b>. Viscosity measurement also reflected higher DNA binding ability for <b>2</b> than <b>1</b>. Both complexes <b>1</b> and <b>2</b> (docking scores of −7.43 and −6.95, respectively) were found to be more active inhibitors than the free ligand acid (docking score of −5.5159) against the target α-amylase protein. This in silico study has shown that the herein reported compounds follow the rules of drug-likeness and exhibit good potential for bioavailability.