Exploring the Interaction Between the Newly Designed Antitumor Zn(II) Complex and CT-DNA/BSA: Spectroscopic Methods,...

Area of Science:

• Inorganic Chemistry
• Medicinal Chemistry
• Computational Chemistry

Background:

• Development of novel metal complexes for therapeutic applications.
• Understanding metal-ligand interactions and their biological relevance.
• Investigating cytotoxic agents and their mechanisms of action.

Purpose of the Study:

• To synthesize and characterize a new zinc(II) complex, [Zn(pipr-ac)₂].
• To evaluate the cytotoxic activity of the complex against K562 cell line.
• To explore the binding interactions of the complex with DNA and serum albumin.

Main Methods:

• Synthesis and structural identification using experimental and DFT methods.
• Computational analysis including FMO, MEP, and NBO.
• In vitro biological assays: MTT assay, UV-Vis spectroscopy, fluorescence titration, viscosity measurements, gel electrophoresis, circular dichroism, and molecular docking.

Main Results:

• The new zinc(II) complex [Zn(pipr-ac)₂] was successfully synthesized and characterized.
• FMO analysis indicated higher biological activity for the complex compared to the free ligand.
• The complex demonstrated notable cytotoxic activity against K562 cells, comparable to cisplatin.
• Binding studies revealed interactions with CT-DNA and serum albumin via static quenching, hydrogen bonds, and van der Waals forces.

Conclusions:

• The synthesized zinc(II) complex possesses significant cytotoxic properties and interacts effectively with DNA and serum albumin.
• Computational and experimental data support the complex's potential as a therapeutic agent.
• Further research is warranted to explore its full therapeutic potential and mechanism of action.