Table 3.
Results of cross-dockings to seven analyzed crystal structures of AChE. Assessment with rmsd values (blue: good pose; green: close pose; yellow: pose with errors; pink: bad pose).
| 1EVE | 1ACJ | 2CKM | 1DX6 | 1ACL | 1AX9 | 1VOT | |
|---|---|---|---|---|---|---|---|
| donepezil | 0.8 | 9.3 | 10.3 | 2.6 | 3.4 | 2.9 | 9.6 |
| tacrine | 7.6 | 0.4 | 2.9 | 6.0 | 5.3 | 9.6 | 6.1 |
| bis-7-tacrine | 4.3 | 5.7 | 1.3 | 5.1 | 5.1 | 4.8 | 5.0 |
| galantamine | 1.1 | 3.7 | 0.8 | 0.6 | 6.2 | 8.7 | 4.9 |
| decamethonium | 1.4 | 3.2 | 2.3 | 2.5 | 1.6 | 3.2 | 2.4 |
| edrophonium | 4.5 | 2.8 | 2.2 | 2.3 | 2.4 | 1.4 | 2.0 |
| huperzine A | 5.0 | 5.0 | 3.5 | 3.6 | 5.0 | 3.7 | 0.9 |