Table 5.

Four new compounds that showed <12 μM (IC₅₀) against PfNF54, and their % PfDHODH inhibition, Glide XP, MM-GBSA and pharmacophore fit scores.

NCI ID*	Structure	% PfDHODH Inhibition at 10 μM	PfDHODH IC50 (μM)	PfNF54 IC50 (μM)a	Scores
					XP (kcal/mol)	MM-GBSA (kcal/mol)	Fit value
NSC 116824		3	NDb	5.07	−9.84	−74.03	9.34
NSC165287		11	ND	6.18	−8.71	−58.87	9.20
NSC137121		0	ND	11.34	−9.48	−90.69	9.69
NSC340225		3	ND	12.03	−9.84	−74.03	9.78

^*Compound obtained by similarity analysis

^aScreening method based on the [³H] hypoxanthine incorporation assay

^bND: not determined