Table 2.

The interaction of estradiol and genistein with estrogen receptor-α protein.

Complex interactions	Binding energy (kJ/mol)	Interaction	Distance (A)	Category	Type
Estradiol-estrogen receptor-α	−262	A:ARG394:NH2—:10:O2	2.61	Hydrogen bond	Conventional hydrogen bond
		:10:H24—A:GLU353:OE1	1.63	Hydrogen bond	Conventional hydrogen bond
		A:PHE404—:10	4.93	Hydrophobic	Pi-Pi T-shaped
		A:LEU346—:10	4.81	Hydrophobic	Alkyl
		A:MET388—:10	4.95	Hydrophobic	Alkyl
		A:LEU391—:10	4.77	Hydrophobic	Alkyl
		A:ILE424—:10	4.96	Hydrophobic	Alkyl
		:10:C11—A:LEU384	4.94	Hydrophobic	Alkyl
		:10:C11—A:LEU525	3.96	Hydrophobic	Alkyl
		A:PHE404—:10	5.38	Hydrophobic	Pi-alkyl
		:10—A:LEU387	5.03	Hydrophobic	Pi-alkyl
		:10—A:LEU391	4.73	Hydrophobic	Pi-alkyl
Genistein-estrogen receptor-α	−250	:10:H8—A:LEU346:O	2.48	Hydrogen bond	Conventional hydrogen bond
		:10:H9—A:GLU353:OE1	2.02	Hydrogen bond	Conventional hydrogen bond
		A:ILE424:CG2—:10	3.83	Hydrophobic	Pi-sigma
		A:PHE404—:10	5.21	Hydrophobic	Pi-Pi T-shaped
		A:PHE404—:10	5.13	Hydrophobic	Pi-Pi T-shaped
		A:HIS524—:10	5.78	Hydrophobic	Pi-Pi T-shaped
		:10—A:LEU387	4.71	Hydrophobic	Pi-alkyl
		:10—A:MET388	5.23	Hydrophobic	Pi-alkyl
		:10—A:LEU391	4.58	Hydrophobic	Pi-alkyl
		:10—A:LEU391	5.05	Hydrophobic	Pi-alkyl
		A:MET421:N—:10:H10	2.12	Unfavorable	Unfavorable donor-donor