A phenanthroline-based erbium (III) complex: molecular docking, DNA/BSA -binding and biological evaluation

Area of Science:

• Inorganic Chemistry
• Biochemistry
• Pharmacology

Background:

• Erbium complexes are explored for therapeutic applications.
• Understanding drug-biomolecule interactions is crucial for drug development.

Purpose of the Study:

• To investigate the in vitro binding of an Erbium-Phenanthroline complex with CT-DNA and BSA.
• To evaluate the chemotherapeutic and pharmacokinetic properties of the complex.
• To assess the cytotoxicity of the Erbium complex against cancer cell lines.

Main Methods:

• Fluorescence quenching assays to study DNA and protein binding.
• Thermodynamic analysis of complex-protein interactions.
• Molecular docking simulations.
• MTT assay for cytotoxicity evaluation.

Main Results:

• The Erbium complex binds to CT-DNA via minor groove binding with a binding constant in the 10^4 M^-1 range.
• Moderate interaction with BSA suggests effective protein transport.
• Molecular docking supported experimental findings.
• The complex exhibited selective inhibition of HeLa and MCF-7 cancer cell proliferation.

Conclusions:

• The Erbium complex demonstrates potential as a chemotherapeutic agent.
• Its binding characteristics with DNA and BSA are favorable for drug delivery and action.
• The complex shows selective cytotoxicity against cancer cells, warranting further investigation.