Table 1 Structures and their anti-malarial activities (IC50 values) of 21 anti-haemozoin compounds in building 2D-QSAR model
No | Compound | Structure | Anti-malarial activity (3D7A) IC50 (mM) ± SD | Anti-haemozoin activity IC50 (mM) |
|---|---|---|---|---|
C1 |
| 0.06 | 42.98 | |
C2 |
| 0.56 ± 0.27 | 18.3 | |
C3 |
| 1.01 ± 0.50 | 25.96 | |
C4 |
| 1.54 ± 0.07 | 53.44 | |
C5 |
| 3.06 ± 1.30 | 110 | |
C6 |
| 4.80 ± 1.70 | 198.1 | |
C7 |
| 6.80 ± 4.40 | 29.04 | |
C8 |
| 7.00 ± 1.40 | 43.98 | |
C9 |
| 8.00 | 4.58 | |
C10 |
| 8.00 ± 2.80 | 156 | |
C11 |
| 8.15 ± 2.60 | 34.67 | |
C12 |
| 8.95 ± 1.30 | 103.5 | |
C13 |
| 9.00 ± 1.40 | 14.01 | |
C14 |
| 9.00 | 36.16 | |
C15 |
| 9.00 | 160 | |
C16 |
| 9.26 ± 1.80 | 30.69 | |
C17 |
| 9.28 ± 2.40 | 28.5 | |
C18 |
| 9.50 ± 0.70 | 24.72 | |
C19 |
| 10.00 ± 1.40 | 41.18 | |
C20 |
| 10.00 | 38.54 | |
C21 |
| 10.50 ± 2.10 | 87.76 |
