Binding interaction of a heteroleptic silver(I) complex with DNA: A joint experimental and computational study

Area of Science:

• Coordination Chemistry
• Bioinorganic Chemistry
• Materials Science

Background:

• Silver(I) complexes are explored for their diverse applications.
• Heteroleptic complexes offer tunable properties.
• Understanding metal-DNA interactions is crucial for developing therapeutic agents.

Purpose of the Study:

• To synthesize and characterize a new heteroleptic silver(I) complex, [Ag(daf)(phen)]NO3.
• To investigate the DNA binding interactions of this silver(I) complex.
• To correlate the structural properties with the biological activity of the complex.

Main Methods:

• Synthesis and structural characterization (elemental analysis, IR, 1HNMR, UV-Vis, cyclic voltammetry).
• Theoretical studies including DFT for geometry optimization and molecular docking.
• Experimental DNA binding studies (UV-Vis, CD spectroscopy, luminescence quenching, competitive binding, CV, gel electrophoresis).

Main Results:

• The silver(I) complex adopted a tetrahedral N4 coordination geometry.
• Experimental and theoretical data confirmed good DNA intercalation with a binding constant (Kb) of 3.45 × 10^5 M^-1.
• Molecular docking studies supported the experimental findings on Ag(I)-DNA interaction.

Conclusions:

• The synthesized silver(I) complex exhibits significant DNA binding affinity through intercalation.
• The study provides insights into the structure-activity relationship of silver(I) complexes.
• This complex holds potential for further investigation in biological and medicinal applications.