Table 3.
Binding energy of molecular docking (kcal/mol).
| Compound | TNF | CASP3 | JUN | EGFR | ESR1 | HSP90AA1 |
|---|---|---|---|---|---|---|
| Herbacetin | -6.51 | -2.38 | -2.75 | -3.56 | -3.12 | -3.79 |
| (5S)-5,9-Dihydroxy-4-(4-hydroxyphenyl)-5,6-dihydro-1-benzoxocin-2-one | -6.36 | -4.20 | -2.19 | -3.05 | -3.47 | -4.16 |
| Picroside I_qt | -6.19 | -3.51 | -3.00 | -3.01 | -2.59 | -3.65 |
| Hederagenin | -6.06 | -3.25 | -3.95 | -4.96 | -4.73 | -4.83 |
| β-Sitosterol | -5.52 | -3.83 | -3.47 | -5.91 | -4.16 | -5.36 |
| Scrophuloside A | -5.19 | -2.66 | -0.41 | 0.07 | -0.73 | -2.04 |
| Picroside I | -5.06 | -0.18 | -0.73 | -2.84 | -1.47 | -2.54 |
| Picroside IV | -4.84 | -0.32 | -0.70 | 0.11 | -2.62 | -2.44 |
| Scrophuloside A_QT | -4.73 | -2.61 | -1.16 | -4.16 | -2.91 | -4.26 |
| Picroside II_qt | -4.58 | -2.49 | -1.79 | -1.88 | -0.31 | -2.97 |
| Picroside III | -4.56 | -1.88 | -1.17 | 0.68 | -0.36 | -1.08 |
| Catalpol | -4.22 | -2.65 | -2.23 | -2.39 | -2.62 | -2.73 |
| Catapol_qt | -3.95 | -2.8 | -1.87 | -2.48 | -2.46 | -2.79 |
| Picroside II | -3.80 | -1.07 | -0.45 | -0.25 | -1.79 | -1.71 |
| 6-Feruloylcatalpol | -3.63 | -1.29 | -0.53 | 0.89 | -0.4 | -1.21 |
| Aucubin | -2.94 | -1.62 | -0.81 | -0.51 | -2.04 | -1.84 |