Table 5.
The docking situation between Mpro, RdRp and ACE2 and compounds of M.bontioides.
| Protein Name | Target Point (PDB ID) | Docking radius | Compounds | -CDocker Internation Energy |
|---|---|---|---|---|
| Mpro | 6LU7 | 13.8214 | prunasin | 37.774 |
| acteoside | 71.9157 | |||
| 5,7-dihydroxy flavanone | 30.5644 | |||
| anthemisol | 50.2534 | |||
| 7-methoxyaromadenrin | 40.4454 | |||
| RdRp | 6XQB | 17.1374 | prunasin | 4.23179 |
| acteoside | 25.3492 | |||
| 5,7-dihydroxy flavanone | 5.96044 | |||
| anthemisol | 20.9511 | |||
| 7-methoxyaromadenrin | 8.67025 | |||
| ACE2 | 2AJF | 34.7755 | prunasin | 0 |
| acteoside | −0.00289805 | |||
| 5,7-dihydroxy flavanone | 0.030233 | |||
| anthemisol | 0.0166443 | |||
| 7-methoxyaromadenrin | 0.00073645 |