Table 3.
The IC50 values and ΔG binding to the compounds A–G.
| Compound | IC50 (µM) | ΔG (kcal·mol−1) | |||||
|---|---|---|---|---|---|---|---|
| EeAChE | DrAChE | HsAChE | EcBChE |
TcAChE (1EA5) |
HsAChE (1B41) |
HsBChE (4BDS) |
|
| A | 36.33 ± 3.14 | 26.23 ± 3.98 | 13.22 ± 1.38 | 22.22 ± 1.06 | −11.7 | −9.0 | −10.6 |
| B | 577.7 ± 84.3 | 21.16 ± 1.44 | 37.55 ± 1.97 | 4.02 ± 0.78 | −12.2 | −9.8 | −11.6 |
| C | 761.17 ± 127.6 | 239.45 ± 2.95 | 92.08 ± 39.73 | 0.75 ± 0.18 | −11.8 | −9.9 | −10.6 |
| D | 5.39 ± 0.55 | 2.31 ± 0.29 | 1.69 ± 0.46 | 5.64 ± 2.47 | −13.0 | −10.9 | −11.4 |
| E | 341.6 ± 54.6 | 26.41 ± 5.30 | 512.25 ± 300.65 | 12.66 ± 7.66 | −10.8 | −10.2 | −9.7 |
| F | 84.16 ± 6.0 | 191.7 ± 29.8 | 150.95 ± 61.68 | 32.85 ± 3.88 | −11.6 | −11.2 | −10.6 |
| G | 344.39 ± 50.7 | 49.78 ± 15.28 | 70.03 ± 7.96 | 9.51 ± 6.94 | −12.6 | −11.3 | −10.6 |
EeAChE = AChE from Electrophorus electricus; DrAChE = AChE from Danio rerio; TcAChE = AChE from Torpedo californica; HsAChE and HsBChE = AChE and BChE from Homo sapiens, respectively.