Table 3.

Calculated ligand – telomeric quadruplex DNA docking interaction energies (kcal mol^-1).

	G-Quadruplex Interaction Energy
	Total Energy	van der Waals	Electrostatic
9a	- 1103.23 ± 13.61	- 101.06 ± 3.21	- 1002.17 ± 12.83
9b	- 1157.49 ± 7.33	- 102.39 ± 3.02	- 1055.07 ± 7.42
9c	- 1177.01 ± 16.24	- 105.31 ± 3.79	- 1071.66 ± 18.56
9d	- 1102.44 ± 10.98	- 94.20 ± 5.04	- 1008.24 ± 14.99
9e	-1188.99 ± 14.71	- 96.98 ± 3.10	- 1092.01 ± 12.96
9f	- 1171.68 ± 28.58	- 103.69 ± 3.56	- 1069.80 ± 27.58
9g	- 1140.28 ± 34.06	- 89.54 ± 4.37	- 1050.74 ± 31.76
9h	- 1132.65 ± 25.47	- 102.92 ± 2.94	- 1029.72 ± 25.30
9i	- 134.71 ± 5.52	- 92.02 ± 2.39	- 42.68 ± 6.48
15a	- 1174.23 ± 17.09	- 100.89 ± 3.44	- 1073.36 ± 16.11
15b	- 1182.22 ± 19.06	- 102.35 ± 2.98	- 1079.88 ± 20.41
15c	- 1167.67 ± 16.91	- 103.31 ± 2.66	- 1064.37 ± 16.35