Table 2 The binding energy of docking information of intersection targets protein with SMA
NO | Active ingredient | Molecular formula | Structure | Active ingredient | PDB ID | Binding energy(KJ/mol) |
|---|---|---|---|---|---|---|
1 | matrine | C15H24N2O |
| CCND1 | 2W96 | -7.71 |
CDK2 | 2CCH | -7.5 | ||||
E2F1 | 1O96 | -6.52 | ||||
2 | oxymatrine | C15H24N2O2 |
| CCND1 | 2W96 | -7.51 |
CDK2 | 2CCH | -7.89 | ||||
E2F1 | 1O96 | -4.69 | ||||
3 | sophoridine | C15H24N2O |
| CCND1 | 2W96 | -7.7 |
CDK2 | 2CCH | -8.18 | ||||
E2F1 | 1O96 | -6.23 | ||||
4 | sophocarpine | C15H22N2O |
| CCND1 | 2W96 | -8.34 |
CDK2 | 2CCH | -8.05 | ||||
E2F1 | 1O96 | -6.12 | ||||
5 | oxysophocarpine | C15H22N2O2 |
| CCND1 | 2W96 | -7.79 |
CDK2 | 2CCH | -8.2 | ||||
E2F1 | 1O96 | -5.0 | ||||
6 | cytisine | C11H14N2O |
| CCND1 | 2W96 | -6.83 |
CDK2 | 2CCH | -6.47 | ||||
E2F1 | 1O96 | -5.87 |
