13 January 2021>: Database Analysis
Systems Pharmacology-Based Identification of Mechanisms of Action of for the Treatment of Hepatocellular Carcinoma
Lan-Lan Wang 1BE* , Chen Liao 2C* , Xiao-Qiang Li 3C , Rong Dai 2C , Qing-Wei Ren 4B , Hai-Long Shi 1C , Xiao-Ping Wang 1F , Xue-Song Feng 1E , Xu Chao 14AG*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 |