Table 1 Inhibition of falcipain-2 and cultured malaria parasites by compounds identified with a computational screen
From: The Impact of Whole Genome Sequence Data on Drug Discovery—A Malaria Case Study
Enzyme IC50 * ** (µM) | Cell Culture IC50 ** (µM) | |
|---|---|---|
1. (8-chloro-4H-1,5-dithia-cyclopenta[a]naphthalen-2-yl)-carbamic acid phenyl ester | 1.1 +/− 0.5 | 94 |
2. 4,5,6,7-tetrafluoro-2-(3-trifluoromethyl-phenylsulfanylmethyl)-benzofuran | 1.4 +/− 0.6 | 20 |
3. 7-(4-bromobenzyloxy)-2,2,5-trimethyl-2H-chromene | 2.5 +/− 1.3 | no inhibition |
4. 1-(5-chloro-2,4-dimethoxyphenyliminomethyl)-2-naphthol | 3.5 +/− 0.6 | 25 |
5. 4-(6-oxo-4-propyl-1,6-dihydroprymidin-2-ylsulfanylmethyl)-benzoic acid 2,4-difluoro-phenyl ester | 4.1 +/− 1.3 | ND |
6. Naphthalen-1-yl-carbamic acid 2-carbamoyl-phenyl ester | 4.7 +/− 2.8 | 103 |
7. 3,5-dinitro-benzoic acid 3-(3,4,5-trimethoxy-phenyl)-prop-2-ynyl-ester | 6.4 +/− 1.1 | 21 |
8. 4-[3-(2-methoxy-5-phenylcarbamoyl-phenyl)-ureido]-benzoic acid ethyl ester | 6.9 +/− 2.6 | ND |
