Table 3.
Docking of main components of TSD with MyD88
| Chemical | Vina score | Cavity score | 8Center (x, y, z) | Size (x, y, z) |
|---|---|---|---|---|
| Native ligand | －7.1 | 554 | －7, 7, 9 | 27, 27, 27 |
| Verbascoside | －6.8 | 554 | －7, 7, 9 | 27, 27, 27 |
| Paeoniflorin | －6.8 | 554 | －7, 7, 9 | 23, 23 23 |
| Hydroxysafflor yellow | －6.8 | 554 | －7, 7, 9 | 25, 25, 25 |
| Laetrile | －6.6 | 554 | －7, 7, 9 | 24, 24, 24 |
| Ferulic acid | －5.3 | 554 | －7, 7, 9 | 19, 19, 19 |
| Oshaic lactone | －4.9 | 554 | －7, 7, 9 | 18, 24, 18 |
| Gallic acid | －4.8 | 554 | －7, 7, 9 | 17, 24, 17 |
| 5-hydroxymethyl furfuraldehyde | －3.8 | 554 | －7, 7, 9 | 16, 24, 16 |
Notes: TSD: Taohong Siwu decoction; MyD88: myeloid differentiation primary response protein 88.