Computational Molecular Docking, Voltammetric and Spectroscopic DNA Interaction Studies of 9N-(Ferrocenylmethyl)adenine

The binding free energy of 9 N -(ferrocenylmethyl)adenine (FMA) with double-stranded deoxyribonucleic acid (DNA) was measured in solution using cyclic voltammetry and electronic spectroscopy (UV-Vis) techniques under similar conditions.The obtained results were confirmed by computational molecular docking.The docking studies yield good approximation with experimental data and showed that the ligand FMA is placed in the minor groove of DNA.

• ferrocene
• DNA binding
• minor groove binding
• binding free energy
• cyclic voltammetry
• electronic absorption spectroscopy
• molecular docking
• DNA minor groove ligands

• Ferrocene Chemistry and Applications
• DNA and Nucleic Acid Chemistry
• Metal complexes synthesis and properties
• ferrocene
• DNA binding
• minor groove binding
• binding free energy
• cyclic voltammetry
• electronic absorption spectroscopy
• molecular docking
• DNA minor groove ligands
• Organic Chemistry
• Molecular Biology
• Oncology
• Chemistry
• Biochemistry, Genetics and Molecular Biology
• Medicine