Table 2.
The structures generated through ChemDraw and binding scores of the best predicted compounds along with their Zinc-ID against each protein target
| Binding score | |||||
|---|---|---|---|---|---|
| Zinc_ID | Structure | 4EY7 | 2HM1 | 2Z5X | 1PBQ |
| Control | − 11.9 | − 9.1 | − 7.5 | − 8.7 | |
| ZINC000043014847 |
|
− 10.3 | − 8.4 | − 8.3 | − 8.6 |
| ZINC000002010548 |
|
− 10.3 | − 8.7 | − 10.1 | − 8.3 |
| ZINC000000593414 |
|
− 10.8 | − 7.3 | − 8.2 | − 8 |
| ZINC000000390492 |
|
− 10.1 | − 7.9 | − 10.5 | − 7.9 |
Where: acetylcholinesterase (4EY7), beta-secretase cleavage enzyme (2HM1), monoamine oxidase (2Z5X) and N-methyl-D-aspartate receptor receptor (1PBQ) (Structures are drawn from ChemDraw)