Table 5 Docking score, binding energy and interacting amino acids of selected compound
S. no. | Zinc id | Dock score | Binding energy | Interacting amino acids form (pCholine binding site) |
|---|---|---|---|---|
1 | ZINC08792082 | 82.3 | − 98.2 | Ser 38, Asp 128, Tyr 160, Lys 247, Ile 36, Ser 37, Gly 63 |
2 | ZINC02120366 | 79.67 | − 102.3 | Ala 129, Tyr 160, Lys 247, Ile 36, Ser 37, Ile 111 |
3 | ZINC08792474 | 89.67 | − 98.4 | Tyr 19, Asp 128, Gly 63, Asp 85 |
4 | ZINC12882412 | 108.80 | − 103.5 | Tyr 19, Ile 86, Ala 129, Tyr 160, Tyr 181, Ser 37, Asp 85 |
5 | ZINC02103914 | 98.51 | − 110.9 | Asp 10, Tyr 19, Asp 128, Asn137, Ile 36, Asp 85, His 132 |