Table 1.

Computed interaction energies for the complexes of the three acridine derivatives with the human intramolecular quadruplex, in kcal mole⁻¹

Acridine derivative	Average interaction energy DNA-ligand complex	Average interaction energy for ligand	Relative DNA-ligand binding energy
1	−157.3	−96.3	−61.0
3	−223.6	−132.9	−90.7
4	−220.5	−115.3	−105.2