Table 2.
Biological data and docking scores achieved for compounds of the set.
Compound | KITcCA (nM) | KI hCA II (nM)a | Selectivity ratio | Docking score | % Proliferation. Epimastigotesb |
% Viability. Trypomastigotes 24 hc | |
---|---|---|---|---|---|---|---|
3rd day of growth | 7th day of growth | ||||||
1 | 594.4 | >10,000 | >16.8 | −8.38 | 86 | 92 | 73 |
2 | 604.6 | >10,000 | >16.5 | −9.16 | 79 | 102 | 66 |
3 | 752.5 | 4957 | >6.6 | −9.30 | 107 | 94 | 91 |
4 | 950.5 | >10,000 | >10.5 | −8.48 | 57 | 55 | 72 |
5 | 261.4 | 8528 | >32.6 | −9.13 | 73 | 96 | 105 |
6 | 951.8 | >10,000 | >10.5 | −8.14 | 103 | 104 | 65 |
7 | 7250 | 8884 | 1.22 | −8.79 | 103 | 121 | 76 |
8 | 448.8 | >10,000 | >22.3 | −7.97 | 72 | 114 | 98 |
Acesulphame | 2242 | >20,000 | >8.9 | −7.05 | 92 | 89 | 101 |
Sodium cyclamate | 348.1 | >10,000 | >28.7 | −7.46 | 89 | 78 | 52 |
aInhibition constants against hCAII were taken from literature28–30.
bEpimastigotes of the Y strain of T. cruzi (candidates tested at 50 µM).
cTrypomastigotes of the RA strain of T. cruzi (candidates tested at 20 µM).