Table 2.

EC₅₀ values (± 1.0 μmol.L⁻¹), interaction energies (kcal.mol⁻¹) and number (#) of interactions obtained from AutoDock Vina and Achilles Blind Docking for phenothiazines and BCL-2.

		Chlorpromazine	Triflupromazine	Fluphenazine	Trifluoperazine	Thioridazine
	${\text{EC}}_{50}^{*}$	125.3	105.9	63.2	56.2	45.5
AutoDock Vina 1.5.7	Interaction energy (kcal.mol−1)	−6.4	−6.6	−6.6	−7.1	−6.0
	#hydrophobic contacts	4	7	5	4	8
	#hydrogen bonds	1	1	1	3	1
	# π-stacking	1	0	1	1	1
	#other interactions**	1	1	1	1	0
	Total #interactions	7	9	8	9	10
Achilles Blind Docking	Energy (kcal.mol−1)	−6.3	−7.1	−7.4	−7.5	−6.8
	#hydrophobic contacts	7	5	7	10	8
	#hydrogen bonds	0	0	1	0	0
	# π-stacking	0	1	0	0	0
	# other interactions**	1	1	0	0	0
	Total #interactions	8	7	8	10	8

^*(de Faria et al., 2015).

^**salt bridge or cation- π.