Table 7.

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

Compound	Plant Source	ERα	ERβ
7-acetoxy-2-methylisoflavone	Glycyrrhiza glabra	−78.4	−94.9
biochanin A	Trifolium pratense	−90.2	−98.6
calycosin	Trifolium pratense	−86.0	−103.3
daidzein	Trifolium pratense	−88.1	−95.0
formononetin	Cimicifuga racemosa	−83.5	−98.5
genistein	Glycyrrhiza glabra	−93.4	−98.9
	Trifolium pratense
glabraisoflavanone A	Glycyrrhiza glabra	no dock	no dock
glabraisoflavanone B	Glycyrrhiza glabra	no dock	no dock
glabridin	Glycyrrhiza glabra	−15.8	−92.9
glabroisoflavanone A	Glycyrrhiza glabra	−35.5	−87.5
glabroisoflavanone B	Glycyrrhiza glabra	−29.1	−100.1
glabrone	Glycyrrhiza glabra	−39.0	−87.5
glyasperin B	Glycyrrhiza glabra	−81.7	−90.1
glyasperin K	Glycyrrhiza glabra	−35.4	−64.0
glyzaglabrin	Glycyrrhiza glabra	−99.1	−103.9
glyzarin	Glycyrrhiza glabra	−93.3	−94.2
7-hydroxy-2-methylisoflavone	Glycyrrhiza glabra	−79.0	−87.3
irilone	Trifolium pratense	−87.4	−102.8
isoderrone	Glycyrrhiza glabra	−27.5	−84.1
isoglabrone	Glycyrrhiza glabra	−34.1	−75.1
isomucronulatol	Glycyrrhiza glabra	−87.1	−104.4
kanzonol R	Glycyrrhiza glabra	−82.9	−101.7
kanzonol T	Glycyrrhiza glabra	no dock	no dock
kanzonol X	Glycyrrhiza glabra	−54.9	−51.2
licoagroside A (aglycone)	Glycyrrhiza glabra	−100.5	−107.7
licoricidin	Glycyrrhiza glabra	−41.5	no dock
lupiwighteone	Glycyrrhiza glabra	−96.1	−107.8
7-methoxy-2-methylisoflavone	Glycyrrhiza glabra	−79.2	−86.9
1-methoxyphaseollin	Glycyrrhiza glabra	−76.2	−110.5
phaseollinisoflavan	Glycyrrhiza glabra	−63.7	−89.4
pratensein	Trifolium pratense	−93.7	−106.4
8-prenylphaseollinisoflavan	Glycyrrhiza glabra	no dock	−43.2
prunetin	Glycyrrhiza glabra	−92.8	−98.9
pseudobaptigenin	Trifolium pratense	−94.6	−104.1
shinpterocarpin	Glycyrrhiza glabra	−65.3	−95.1
2′,4′,5,7-tetrahydroxy-3′,8-diprenylisoflavanone	Glycyrrhiza glabra	−37.0	−34.8
tetrapterol G	Glycyrrhiza glabra	−49.9	−100.8
3′,5,7-trihydroxy-5′-methoxyisoflavone	Trigonella foenum-graecum	−97.4	−107.9
wighteone	Glycyrrhiza glabra	−75.8	−101.9
vitexcarpan	Vitex agnus-castus	−70.4	−99.5