Research Article
[Retracted] Network Pharmacology-Integrated Molecular Docking Reveals the Expected Anticancer Mechanism of Picrorhizae Rhizoma Extract
Table 4
Inhibition constant of molecular docking.
| Compound | TNF | CASP3 | JUN | EGFR | ESR1 | HSP90AA1 |
| Herbacetin | 16.84 | 18.10 | 9.70 | 2.47 | 5.17 | 1.68 | (5S)-5,9-Dihydroxy-4-(4-hydroxyphenyl)-5,6-dihydro-1-benzoxocin-2-one | 21.6 | 837.08 | 24.82 | 5.82 | 2.87 | 896.3 | Picroside I_qt | 28.88 | 2.67 | 6.35 | 6.24 | 12.71 | 2.12 | Hederagenin | 36.22 | 4.12 | 1.28 | 232.7 | 338.48 | 286.36 | β-Sitosterol | 90.63 | 1.55 | 2.85 | 46.49 | 895.72 | 116.96 | Scrophuloside A | 158.1 | 11.18 | 503.53 | -4.11 | 290.48 | 32.09 | Picroside I | 195.04 | 736.69 | 289.56 | 8.34 | 84.09 | 13.77 | Picroside IV | 281.61 | 581.03 | 304.36 | -4.07 | 11.94 | 16.18 | Scrophuloside A_QT | 343.25 | 12.19 | 140.89 | 885.98 | 7.36 | 750.19 | Picroside II_qt | 442.5 | 15.04 | 48.68 | 41.91 | 590 | 6.66 | Picroside III | 455.33 | 42.02 | 139.88 | -3.80 | 546.83 | 160.51 | Catalpol | 805.01 | 11.40 | 23.30 | 17.63 | 12.04 | 9.99 | Catapol_qt | 1.27 | 8.84 | 42.63 | 15.22 | 15.67 | 8.95 | Picroside II | 1.64 | 164.71 | 469.11 | 656.96 | 48.44 | 55.32 | 6-Feruloylcatalpol | 2.19 | 112.86 | 406.18 | -3.58 | 512.52 | 129.33 | Aucubin | 6.97 | 64.75 | 252.97 | 425.51 | 31.81 | 45.08 |
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