Table 6

Intermolecular interaction between estrogens and ERα. avan der Waals energy; belectrostatic energy.

Estrogens

Intermolecular Energy

H-Bond Distance


VDWa

Electb

Total

d1 (Glu353:OE2)

d2 (His524:ND1)


17β-estradiol

-55.06

-20.43

-75.48

1.56

2.02

Equilin

-58.17

-12.33

-70.49

1.71

Δ8,9-dehydroestrone

-58.40

-13.09

-71.49

1.67

Estrone

-55.92

-12.76

-68.68

1.66


Zhao and Brinton BMC Neuroscience 2006 7:24   doi:10.1186/1471-2202-7-24

Open Data