Table 3 Docking scores and estimated free binding energy (MMGBSA dG bind) of tested compounds against AChE, BuChE structures.
Compounds | AChE | BuChE | ||
|---|---|---|---|---|
4EY7 | 7Q1O | |||
Docking score | MMGBSA dG bind | Docking score | MMGBSA dG bind | |
3a | − 7.303 | − 2.58 | − 3.698 | − 7.88 |
3b | − 7.508 | − 26.94 | − 4.966 | − 26.92 |
3c | − 8.272 | − 28.19 | − 5.279 | − 27.05 |