Screening the MayBridge Rule of 3 Fragment Library for Compounds That Interact with the Trypanosoma brucei myo-Inositol-3-Phosphate Synthase and/or Show Trypanocidal Activity

Table 2

Screening for trypanocidal compounds in the MayBridge Rule of 3 Fragment Library.

Library number^a	Molecular structure	T. brucei ED50^b   (μM)	HeLa ED50^b (μM)	Selectivity index
269		20.1 ± 1.0	431 ± 53	21.4
270		30.5 ± 1.6	206 ± 13	6.8
162		31 ± 1.4	103 ± 6	3.3
348		35.0 ± 1.0	21.8 ± 1.8	0.6
256		40.1 ± 1.2	836 ± 68	20.8
281		44.7 ± 1.8	659 ± 65	14.7
365		49.4 ± 2.1	71.8 ± 3.7	1.5
213		55.6 ± 1.3	710 ± 96	12.8
257		56.0 ± 3.6	114 ± 8	2.0
239		63.0 ± 2.5	>20 mM	>317
364		63.2 ± 1.7	40.4 ± 1.8	0.6
520		76 ± 6	>20 mM	>266
250		81.0 ± 5.1	1.4 ± 0.1 mM	17.1
325		82.2 ± 4.6	415 ± 24	5

^aArbitrary Library number.
^bFor trypanocidal and cytotoxicity activity, see Section 2 for details and values are ED50s ± SD (𝑛=4).
^cSelectivity index: T. brucei ED50/HeLa ED50.