TABLE 3.
Virtual molecular docking of active ingredients of GEB and targets.
| Name | The number of hydrogen bond | Amino acid residue | Target | Binding Energy/kcal·mol−1 |
|---|---|---|---|---|
| 11-Hydroxyrankinidine | 3 | MET-793 (2.8) | EGFR | −8.7 |
| CYS-797 (3.3) | ||||
| 3 | ARG-1007 (2.7) | JAK1 | −6.5 | |
| LEU-959 (2.8) | ||||
| LEU-959 (2.5) | ||||
| 1 | GLU-170 (2.8) | AKT1 | −8 | |
| 11-Hydroxyhumantenine | 1 | CYS-797 | EGFR | −7.6 |
| 1 | GLU-883 | JAK1 | −5.9 | |
| NA | NA | AKT1 | −6.4 | |
| Gelseoxazolidinine | 1 | SER-720 | EGFR | −6.4 |
| NA | NA | JAK1 | −5.8 | |
| 1 | ASN-20 | AKT1 | −2.5 | |
| Koumine | 1 | CYS-797 (3.2) | EGFR | −7.2 |
| NA | NA | JAK1 | −6.2 | |
| 1 | ASP-184 (3.1) | AKT1 | −7.4 |
NA, not applicable.