13 January 2021 : Database Analysis
Systems Pharmacology-Based Identification of Mechanisms of Action of Bolbostemma paniculatum for the Treatment of Hepatocellular Carcinoma
Lan-Lan Wang1BE, Chen Liao2C, Xiao-Qiang Li3C, Rong Dai2C, Qing-Wei Ren4B, Hai-Long Shi1C, Xiao-Ping Wang1F, Xue-Song Feng1E, Xu Chao14AG*DOI: 10.12659/MSM.927624
Med Sci Monit 2021; 27:e927624
Table 1 Exploration of the active chemical components of Tu Bei Mu (TBM) through a ligand-based prediction strategy.
| Molecule ID | Molecule name | Structure | OB | DL |
|---|---|---|---|---|
| MOL000357 | Sitogluside | 20.63 | 0.62 | |
| MOL000358 | beta-sitosterol | 36.91 | 0.75 | |
| MOL000359 | Sitosterol | 36.91 | 0.75 | |
| MOL000472 | Emodin | 24.40 | 0.24 | |
| MOL002440 | Cucurbitacin b | 25.90 | 0.75 | |
| MOL010314 | Daucosterol palmitate | 25.51 | 0.19 | |
| MOL010315 | beta-sitosterol palmitate | 30.90 | 0.41 | |
| MOL010324 | 7β,20,26-trihydroxy-20(s)-24E-dammaragonene-3-O-α-L-arabinopyranose-(l–2)-β-D-(6′-acetyl)-glucopyranoside_qt | 28.89 | 0.79 | |
| MOL010328 | 7β,20,26-trihydroxy-20(s)-24E-dammaragonene-3-O-α-L-(4′-acetyl)-arabinopyranose-(l–2)-β-D-glucopyranoside_qt | 28.14 | 0.80 |






