Probing the Interplay between DNA/HSA and a New Adipate-Bridged Dinuclear Zinc(II) Scaffold: From Synthesis to In Silico Insights.

The binuclear zinc(II) complex, Na2[Zn2(dipic)2(µ-adipic)] (1) (where dipic is dipicolinic acid and adipic is adipic acid), was synthesized and characterized by elemental analysis (EA), FT-IR, 1H NMR, mass spectrometry, and UV-Vis spectroscopy. The complex geometry was optimized using DFT calculations. In-vitro interaction of DNA/HSA with complex (1) was explored using different experimental methods. Both experimental and theoretical results support confirmed effective interaction with these macromolecules. The observed data display that the complex interacts with CT-DNA predominantly via a groove binding mode through hydrogen bonding and van der Waals forces. Fluorescence data suggest a static quenching mechanism for both DNA and HSA systems. Binding constant analysis showed that the complex has a higher affinity for DNA compared to HSA. Also, this study investigated the antioxidant activity of (1) by measuring its ability to scavenge the DPPH (2,2-diphenyl-1-picrylhydrazyl) radical, and the results were comparable to those of Vitamin C.