Table 2. Selected hits.
Pubchem name | Compound | GUS activity[S/B] | optimal conc.for GUS [μg/ml] | Viability IC50[μg/ml] |
---|---|---|---|---|
cis-aconitate | 58.3 | 10 | >20 | |
STOCK4S-04391 | DIP-01 | 7.6 | 50 | 57.2 |
STOCK1S-31919 | DIP-02 | 4.2 | 1.25 | 1.0 |
STOCK1S-42137 | DIP-03 | 3.3 | 0.5 | 0.3 |
STOCK1S-13735 | DIP-04 | 8.1 | 50 | 25.8 |
STOCK4S-90544 | DIP-05 | 3.3 | 12.5 | 7.7 |
STOCK3S-11937 | DIP-06 | 4.6 | 6.3 | 1.3 |
STOCK5S-42531 | DIP-07 | 3.8 | 2.5 | 2.2 |
STOCK5S-38263 | DIP-08 | 3.5 | 12.5 | 5.5 |
STOCK5S-44766 | DIP-09 | 3.2 | 50 | 16.4 |
STOCK5S-82907 | DIP-10 | 4.4 | 3.0 | 1.7 |
STOCK5S-91387 | DIP-11 | 3.6 | 12.5 | 5.8 |
STOCK5S-83458 | DIP-12 | 3.1 | 12.5 | 10.0 |
STOCK6S-01740 | DIP-13 | 5.4 | 75 | 13.4 |
STOCK6S-10803 | DIP-14 | 3.3 | 50 | 22.5 |
STOCK6S-14165 | DIP-15 | 5.1 | 25 | 9.5 |
STOCK6S-12339 | DIP-16 | 3.4 | 12.5 | 8.8 |
STOCK6S-10284 | DIP-17 | 3.0 | 28.1 | 13.9 |
STOCK6S-06338 | DIP-18 | 3.6 | 12.5 | 6.3 |
STOCK6S-38758 | DIP-19 | 4.4 | 1.25 | 0.8 |
STOCK6S-34290 | DIP-20 | 3.3 | 10.9 | 8.6 |
STOCK6S-35180 | DIP-21 | 3.4 | 6.3 | 4.2 |
5740240 | DIP-22 | 5.0 | 9.4 | 4.6 |
5742784 | DIP-23 | 3.7 | 21.9 | 13.9 |
T5700438 | DIP-24 | 3.5 | 3.9 | 2.3 |
T6214849 | DIP-25 | 3.4 | 10.9 | 6.7 |
T5314847 | DIP-26 | 5.1 | 10.9 | 5.3 |
T5845297 | DIP-27 | 3.0 | 9.7 | 4.6 |
T5227647 | DIP-28 | 3.9 | 20 | 10.9 |
Melarsoprol | 2.1 | 0.023 | 0.016 | |
Pentamidine | 1.0 | NA | 0.006 | |
Suramin | 1.0 | NA | 0.08 | |
Nifurtimox | 1.0 | NA | 1.0 | |
Fexinidazole | 1.0 | NA | 2.4 |
GUS activity S/B = ratio of GUS signal of drug-treated samples to untreated (background), at the optimal concentration for GUS activity, IC50: inhibitory concentration resulting in 50% parasite death. NA: not applicable (there was no GUS signal). Each control compound was tested over a ≥1,000 fold concentration range in both assays with the IC50 approximately in the middle of the range. All assays were performed with an exposure time of 40 h; the initial parasite density was 5 × 105/ml in both assays. STOCK5S-42531 is desloratidine.