Table 3.

In vitro evaluation of selected virtual hits against asexual blood stage of P. falciparum 3D7 e Dd2 strains, cytotoxicity on mammalian cells (COS7, HEPG2), selectivity index and inhibition of ookinete formation of P. berghei.

Structure	EC50 3D7 (μM)	EC50 Dd2 (μM)	CC50 COS7 (μM)	CC50 HEPG2 (μM)	SI*	SI**	% ookinete conversion inhibition (10 μM)
	8.77 ± 2.20	3.40 ± 1.68	44.60 ± 3.73	19.95 ± 2.26	5.09	2.27	8.58 ± 7.62
LabMol-169
	1.14 ± 0.20	2.02 ± 0.36	7.59 ± 4.09	5.43 ± 2.39	6.66	4.76	11.24 ± 19.47
LabMol-170
	0.35 ± 0.08	0.70 ± 0.41	48.39 ± 14.04	19.31 ± 3.69	138.26	55.17	70.02 ± 22.16
LabMol-171
	0.43 ± 0.08	0.48 ± 0.17	12.11 ± 1.44	10.21 ± 5.53	28.16	23.74	8.59 ± 13.01
LabMol-172
	>5	–	–	–	–	–	0.00 ± 0.00
LabMol-173
	>5	–	–	–	–	–	21.41 ± 36.67
LabMol-174
	>5	–	–	–	–	–	12.87 ± 22.29
LabMol-175
	1.15 ± 0.26	1.71 ± 0.40	34.88 ± 4.06	5.63 ± 1.51	30.33	4.90	20.51 ± 19.45
LabMol-176
	>5	–	–	–	–	–	8.76 ± 15.18
LabMol-177
	0.39 ± 0.06	0.40 ± 0.10	18.29 ± 1.92	6.13 ± 2.05	46.90	15.72	51.81 ± 23.16
LabMol-181
Chloroquine	0.02 ± 0.01	0.15 ± 0.04	–	–	–	–	–

EC₅₀ 3D7, half maximal effective concentration in 3D7 strain; EC₅₀ Dd2, half maximal effective concentration in Dd2 strain; CC₅₀ COS7, half maximal cytotoxic concentration on COS7 cell; CC₅₀ HEPG2, half maximal cytotoxic concentration on HEPG2 cell;

SI^*, selectivity index calculated between CC₅₀ COS7 and EC₅₀ 3D7 strain;

SI^**, selectivity index calculated between CC₅₀ HEPG2 and EC₅₀ 3D7 strain. The data are expressed as mean ± SD of three independent assays.