Iron(II) and Copper(II) Ions Modulating Binding Interaction of Sugar-Based Silatrane With DNA: Analytical and
Gurjaspreet Singh1, Pawan2, Brij Mohan3
1Department of Chemistry & Centre for Advanced Studies in Chemistry, Panjab University, Chandigarh, India.
Abstract:
Research on molecular systems capable of interacting with DNA through binding, modification, or cleavage remains important in medicinal chemistry. In this study, we report the design and synthesis of a new D-glucamine-based Schiff base containing a triazolyl silatrane probe (6) and its Fe(II) and Cu(II) complexes, followed by investigation of their interactions with calf thymus DNA (CT-DNA). The synthesized ligand and its metal complexes were characterized by elemental analysis, FT-IR, UV-vis spectroscopy, ESI-MS, and NMR spectroscopy (1H and 13C for the free ligand). DNA-binding properties were evaluated by UV-vis absorption spectroscopy, ethidium bromide (EtBr) displacement fluorescence assays, and molecular docking studies. The combined experimental and computational results indicate that ligand 6 interacts predominantly with CT-DNA through groove binding, whereas complexation with Fe(II) or Cu(II) enhances DNA-binding affinity and modulates the interaction toward a mixed groove-binding/intercalative mode. The higher binding constants, enhanced fluorescence quenching, and favorable docking interactions observed for the metal complexes support this metal-induced modulation of DNA-binding behavior. Overall, the findings demonstrate that metal complexation can tune both the strength and mode of DNA binding, highlighting a potential strategy for designing silatrane-based metal complexes with DNA-targeting applications.
