Probing the Biomolecular Interactions of DNA/HSA with the New Sn(IV) Complex and Computational Perspectives: Design, Synthesis, Characterization, Anticancer Activity, and Molecular Modeling Approach

The ligands 2,2'-bipyridyl and indole-3-carboxylic acid were used to create a Sn(IV) complex, which was then synthesized and carefully characterized using elemental analysis and spectroscopic techniques (UV-vis, IR, ¹H, ¹³C, and ¹¹⁹Sn NMR, and ESI-MS) and RXPD. Utilizing biophysical techniques such as UV-vis, fluorescence titrations, circular dichroism, FTIR (for HSA), and cleavage activity (for DNA), <i>in vitro</i> binding studies of Sn(IV) complex and DNA/HSA were satisfied with the strong electrostatic binding interaction of the Sn(IV) complex <i>via</i> the phosphate backbone of the DNA helix as well as in the subdomain IIA of HSA. The observed trend in the binding interactions and computational studies of the Sn(IV) complex was attributed to the nature of the ligands bound to the Sn(IV) center that influences their <i>in vitro</i> activities. The Sn(IV) complex showed sufficient effectiveness to be considered a viable candidate for the creation of anticancer medications.