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Integrating cyclic voltammetry, fluorescence, and docking to elucidate DNA-Schiff-base ligand interactions
Sudabeh Shokrollahi1, Ahmad Amiri2
1Department of Chemistry, College of Science, University of Tehran, Tehran 14155-6455, Iran.
Bioelectrochemistry (Amsterdam, Netherlands)
|November 27, 2025
Summary
This study reveals how Schiff-base ligands interact with DNA. Ligand structure, particularly planarity and electronic properties, significantly influences DNA binding strength, crucial for drug design and biosensing.
Area of Science:
- Coordination Chemistry
- Biophysical Chemistry
- Molecular Interactions
Background:
- Schiff-base ligands possess significant biological and electrochemical importance.
- Understanding Schiff-base ligand-DNA interactions is vital for pharmacological and sensing applications.
Purpose of the Study:
- To investigate the DNA binding mechanisms of twelve distinct Schiff-base ligands.
- To elucidate the influence of electronic and steric factors on ligand-DNA binding affinity.
Main Methods:
- Fluorescence spectroscopy for binding constants and quenching behavior.
- Cyclic voltammetry (CV) to assess DNA-ligand complex formation.
- Molecular docking simulations to visualize interaction modes.
Main Results:
- Moderate-to-strong binding affinities (Kb = 2.07-9.61 × 10³ M⁻¹) with static quenching were observed.
- Planar ligands with electron-withdrawing groups showed stronger DNA binding.
- CV studies indicated decreased redox currents and potential shifts upon complexation.
Conclusions:
- A clear structure-activity relationship exists, with ligand planarity and electronic properties governing DNA-binding strength.
- Molecular docking confirmed hydrogen bonding, π-π stacking, and hydrophobic interactions as key stabilizing forces.
- Cyclic voltammetry is a valuable complementary technique for studying biomolecular interactions.
