Synthesis, Characterization, HSA/DNA Binding, and Cytotoxic Activity of [RuCl₂(η⁶-p-cymene)(bph-κN)] Complex

Area of Science:

• Inorganic Chemistry
• Medicinal Chemistry
• Computational Chemistry

Background:

• Ruthenium complexes are explored for anticancer properties.
• Understanding metal-ligand interactions is crucial for drug development.
• Novel complex synthesis and characterization are essential for discovering new therapeutic agents.

Purpose of the Study:

• Synthesize and characterize a novel ruthenium(II) complex, [RuCl2(η6-p-cymene)(bph-κN)] (1).
• Investigate the interaction of complex 1 with human serum albumin (HSA) and DNA.
• Evaluate the antioxidant and in vitro anticancer activities of complex 1.

Main Methods:

• FTIR and NMR spectroscopy for structural characterization.
• Density Functional Theory (DFT) for computational analysis.
• Fluorescence quenching, ethidium bromide displacement assays, and molecular docking for binding studies.
• Electron Paramagnetic Resonance (EPR) spectroscopy for antioxidant activity.
• In vitro cytotoxicity assays against multiple cancer cell lines.

Main Results:

• Complex 1 was successfully synthesized and characterized.
• Spontaneous binding to HSA and DNA was observed, primarily via hydrophobic interactions and DNA intercalation.
• The complex exhibited significant antioxidant activity and selective cytotoxicity against pancreatic and colorectal cancer cells.
• DFT and QTAIM analyses provided insights into electronic structure and bonding.

Conclusions:

• Complex 1 shows promising anticancer potential due to its DNA binding, antioxidant properties, and selective cytotoxicity.
• The findings suggest complex 1 could be a candidate for developing new therapies against multidrug-resistant cancers.
• Further research is warranted to explore its therapeutic applications.