Table 1.
Referenced and predicted targets of MZRW representative compounds.
| Herb | Compound | Referenced targetsa | Predicted targetsb |
|---|---|---|---|
| DH | Emodin | ESR1 (Matsuda et al., 2001); ESR2 (Matsuda et al., 2001); CSNK2A1 (Sarno et al., 2003); EPHX2 (Lee et al., 2015); PTP4A3 (Han et al., 2012); LCK (Chang and Geahlen, 1992); ELANE (Zembower et al., 1992) | ESR2;ESR1;SRC;PIM1;IGF1R;PPARG;CYP1B1;MET;AKR1B1; ALOX5;FLT3;CSNK2A1;AXL;TNKS2 |
| KXR | Amygdalin | None | SLC5A4;ACHE;SLC5A1;P2RY14;SLC5A2;CA14;CA12;CA2;CA9;CA1 |
| BS | Albiflorin | None | SLC5A4;SLC5A1;SLC5A2;CA12;CA2;CA14;CA9 |
| HP | Honokiol | PTGS1 (Schuhly et al., 2009); PTGS2 (Schuhly et al., 2009); ALOX5 (Schuhly et al., 2009); CNR1 (Rempel et al., 2013); CNR2 (Rempel et al., 2013); GABAA (Taferner et al., 2011); RXR (Kotani et al., 2010) | CYP19A1;ESR2;HSD17B2;HSD17B1;ESR1;SLC22A6;MIF |
| ZS | Naringin | CYP19A1 (Endringer et al., 2008) | ACHE;SLC5A4;AKR1B1;SLC5A2;ADORA1;CA14;CA12;SLC5A1;CA2;CA9;CA1 |
aData extracted from BindingDB (https://www.bindingdb.org). bPredictions were made by using MOST to search against the pKi/pIC50/pEC50 dataset from CHEMBL20. Positive bioactivity data was defined as pIC50/pEC50/pKi > 6, while negative data was defined as pIC50/pEC50/pKi ≤ 6.