Table 3. Binding Energy Details of AChE with Identified Compounds.
| compound | dock score | energy (kcal/mol) | H-bond | pi–pi stacking |
|---|---|---|---|---|
| ZINC95099639 | –13.11 | –31.96 | Tyr184, Gly180 | Trp147 |
| ZINC03812983 | –11.98 | –33.84 | Ser262, Gly182, Glu261 | Trp392 |
| ZINC95099641 | –12.11 | –35.56 | Asn148 | Trp147 |
| ZINC70455604 | –12.49 | –37.56 | No | No |
| ZINC32273181 | –12.27 | –34.97 | Thr185 | Trp147 |
| ZINC95098859 | –12.12 | –32.42 | Gly180, Tyr391 | Trp147 |