Table 1.

Possible interactions between 17 β-estradiol and genistein with ERα or ERβ.

Molecule	Point interaction	Category	Donor atom	Acceptor atom	Binding energy
ERα – 17 β-estradiol	ARG261:H – 17 β-estradiol:C	Hydrophobic bond	H	C	−218.31 kJ/mol
	PHE310:H – 17 β-estradiol:C	Hydrophobic bond	H	C
	LEU311:H – 17 β-estradiol:C	Hydrophobic bond	H	C
ERα – genistein	–	–	–	–	−216.18 kJ/mol
ERβ – 17 β-estradiol	MET296:O – 17 β-estradiol:O	Hydrophobic bond	O	O	−207.90 kJ/mol
	THR299:H – 17 β-estradiol:C	Hydrophobic bond	H	C
	LYS300:O – 17 β-estradiol:C	Hydrophobic bond	O	C
	ASP303:H – 17 β-estradiol:C	Hydrophobic bond	H	C
	VAL485:O – 17 β-estradiol:O	Hydrophobic bond	O	O
ERβ – genistein	LYS304:HZ3 – genistein:O	Hydrogen bond	HZ3	O	−213.62 kJ/mol
	VAL485:H – genistein:O	Hydrogen bond	H	O
	MET296:O – genistein:O	Hydrophobic bond	O	O
	THR299:O – genistein:O	Hydrophobic bond	O	O
	VAL485:O – genistein:O	Hydrophobic bond	O	O
	LEU490:O – genistein:O	Hydrophobic bond	O	O