The influence of methyl substitution on the thermodynamic parameters for the binding of [Fe(DMP) (DMP = 4, TMP = 3,4,7, The results indicate that the substitution of hydrogen atoms in the phen ligand by methyl groups decreases slightly the electrostatic binding free energy changes, but tremendously increases the non-electrostatic ones to yield net binding free energy changes which are more favorable for the ct-DNA binding.