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Targeting CT-DNA with Novel Dafone-Pd(II) Complexes: In Vitro Cytotoxicity, In Vivo Efficacy, and Computational
Amirmohammad Jahandideh1, Ameneh Heidari2, Mohammad Reza Hajinezhad1
1Department of Basic Veterinary Sciences, Faculty of Veterinary Medicine, Zabol University, P.O. Box 9861335856, Zabol 98613-35856, Iran.
Journal of Medicinal Chemistry
|December 15, 2025
Summary
New palladium complexes show effective interaction with DNA, primarily through groove binding. These compounds exhibit potential as anticancer agents without causing significant organ toxicity in vivo.
Area of Science:
- Coordination Chemistry
- Materials Science
- Biophysical Chemistry
Background:
- Palladium complexes are explored for their therapeutic potential, particularly in cancer treatment.
- Understanding the interaction of metal complexes with DNA is crucial for developing novel chemotherapeutics.
- Cisplatin serves as a benchmark for evaluating the efficacy and toxicity of new anticancer agents.
Purpose of the Study:
- To synthesize and characterize novel palladium complexes with 2,2'-bipyridine (bpy), 4,5-diazaflourene-9-one (daf, dafone), and 2,2'-dipyridylamine (dpa) ligands.
- To investigate the cytotoxic effects of these complexes on colon cancer cells and NIH/3T3 fibroblasts.
- To elucidate the mechanism of interaction between the palladium complexes and CT-DNA using various biophysical and computational techniques.
Main Methods:
- Synthesis and characterization of palladium complexes.
- Cytotoxicity assays on cancer and normal cell lines.
- In vivo toxicity studies (hepatorenal).
- Spectroscopic methods (absorption, fluorescence) and viscosity measurements for DNA binding studies.
- Computational modeling for interaction analysis.
Main Results:
- Novel complexes [Pd(bpy)(daf)](NO3)2 and [Pd(daf)(dpa)](NO3)2 were successfully synthesized.
- In vivo studies revealed no acute hepatorenal toxicity.
- Complexes demonstrated effective interaction with CT-DNA, primarily via groove binding.
- Absorption and fluorescence spectroscopy indicated groove binding and static quenching mechanisms, respectively.
- Interactions are mediated by hydrogen bonding and van der Waals forces.
Conclusions:
- The synthesized palladium complexes exhibit promising DNA-binding capabilities and low in vivo toxicity.
- These complexes show potential for development as anticancer agents, interacting with DNA through groove binding.
- The findings support the use of biophysical and computational methods for characterizing metal-DNA interactions.
