Table 3.

The LBVS hits and their structures followed by experimental β-haematin formation inhibition and parasite growth inhibition IC₅₀ data in the CQ-sensitive (PfNF54) strain of P. falciparum.

Rank EON	Chemdiv Code	Structure	β-haematin IC50 (μM)	PfNF54 IC50 (µM)
Query molecule	Lapatinib		5.43 ± 0.03	0.26 ± 0.07
17	F424-1065		353.9 ± 59.96	4.91 ± 0.44
24	C514-0466		143.55 ± 32.88	NA 1
27	C514-0233		254.8 ± 59.26	NA 1
48	G637-3522		290.05 ± 42.07	NA 1
54	F731-0128		207.15 ± 19.02	NA 1
62	C514-0129		183.5 ± 4.67	NA 1
Query molecule	Nilotinib		7.3 ± 1.2	0.28 ± 0.02
2	F871-0652		156.15 ± 1.63	6.42 ± 0.57
16	F871-0649		373.4 ± 98.0	8.09 ± 0.12
42	F725-0689		85.73 ± 40.41	3.9 ± 0.14
79	G416-5459		100.95 ± 22.85	NA 1
80	D444-0908		68.25 ± 6.41	3.84 ± 0.33
113	F545-1038		243.9 ± 11.46	NA 1

¹ not active at tested concentration of 10 µg/mL.