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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
  1. *Leupeptin, the enzyme assay positive control, had an IC50 of 50 nM.
  2. **See Methods for details.