Akademik Veri Yönetim Sistemi
Journal of the Indian Chemical Society, cilt.1, sa.1, ss.102336, 2026 (Hakemli Dergi)
In recent years, there has been a growing interest in the synthesis of novel compounds with medicinal potential, particularly those exhibiting antioxidant properties, due to their ability to delay, prevent, or eliminate oxidative damage in target cells. In this study, synthesis and comprehensive characterization of three novel copper(II) complexes, [Cu(L1)(phen)] (1), [Cu(L1)(py-phen)] (2) and [Cu(L2)(py-phen)] (3),—featuring Schiff base ligands derived from 5-chlorosalicylaldehyde and valine (L1) / glycine (L2), phen: 1,10-phenanthroline, py-phen: pyrazino[2,3-f][1,10]phenanthroline—were carried out using electronic absorption spectroscopy, CHN analysis, FTIR, ESI-MS, and X-ray diffraction. Electronic absorption and fluorescence spectroscopy were employed to investigate the interactions between the complexes 1-3 and CT-DNA, trypsin, and urease. The complexes 1-3 were found to bind CT-DNA through minor groove interaction, while their fluorescence quenching with trypsin and urease proceeded via a static mechanism. To better understand the molecular basis of these biological effects, molecular docking simulations were employed to evaluate the binding affinities and interaction profiles of the complexes 1-3 against three biologically relevant macromolecular targets: B-DNA, trypsin, and urease. The docking results revealed high binding affinities, particularly toward DNA, and moderate interactions with trypsin and urease. These findings highlight the role of non-classical interactions such as π–anion, π–sulphur, π–π stacking, and carbon–hydrogen bonds in stabilizing the complexes 1-3 within biologically relevant binding sites. Importantly, the complexes 1-3 preferentially engaged in minor groove binding to DNA and occupied catalytic clefts in the enzymes without directly interfering with key active residues. The docking results provide a molecular basis for the observed or anticipated biological activities and support the potential of the complexes 1-3 as candidates for further pharmacological evaluation. In vitro assessment of the complexes’ antioxidant activity revealed a moderate scavenging efficiency. The findings of this study deepen the understanding of the complexes 1–3’s interactions with enzymes and emphasize their value in biomedical and pharmaceutical research.