Table 9.

MolDock molecular docking energies (kJ/mol) for phenanthrenoids with human estrogen receptors α and β

Compound	Plant Source	ERα	ERβ
batatasin I	Dioscorea spp.	−84.7	−97.1
denthyrsinin	Dioscorea spp.	−83.5	−96.7
9,10-dihydro-2,7-dihydroxy-1,3,5-trimethoxyphenanthrene	Dioscorea spp.	−80.8	−95.7
9,10-dihydro-5,7-dimethoxy-3,4-phenanthrenediol	Dioscorea spp.	−81.0	−90.1
9,10-dihydro-2,3,5,7-phenanthrenetetrol	Dioscorea spp.	−78.0	−83.2
9,10-dihydro-4,6,7-trimethoxy-2-phenanthrenol	Dioscorea spp.	−88.5	−99.6
9,10-dihydro-5,6,8-trimethoxy-3,4-phenanthrenediol	Dioscorea spp.	−72.9	−87.5
6,7-dihydroxy-2-methoxy-1,4-phenanthraquinone	Dioscorea spp.	−85.9	−94.9
3,5-dimethoxy-2,7-phenanthrenediol	Dioscorea spp.	−84.6	−93.5
5,7-dimethoxy-2,3-phenanthrenediol	Dioscorea spp.	−88.5	−93.6
diobulbinone	Dioscorea spp.	no dock	no dock
dioscoreanone	Dioscorea spp.	−88.6	−96.1
hircinol	Dioscorea spp.	−68.9	−76.3
6-methoxycoelonin	Dioscorea spp.	−83.5	−93.9
2,4,5,6-phenanthrenetetrol	Dioscorea spp.	−74.7	−82.9
3,4,6-phenanthrenetriol	Dioscorea spp.	−74.3	−79.9
prazerol	Dioscorea spp.	−84.6	−96.5