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Docking scores and predicted hydrogen bond(s) of the three compounds with AChE or MAO-B*
| Compounds | Docking scores (kcal/mol) | Hydrogen bond(s) predicted | ||
|---|---|---|---|---|
| AChE | MAO-B | AChE | MAO-B | |
| 3 | − 8.5 | − 7.3 | Tyr124 | Cys172 |
| 4 | − 9.2 | − 4.7 | Tyr124 | |
| 5 | − 8.3 | − 8.9 | Cys172 | |
* Determined by AutoDock Vina.
