Table 4: IC50 values (nM) of 8 representative compounds as ERα antagonist from natural products and their binding affinity evaluated by Discovery Studio 2016.

ChemicalIC50 (nM)-CDOCKER_ENERGY-CDOCKER_INTERACTION_ENERGY

Estradiol7.38 ± 0.8032.6042.1106
Genistein29.38 ± 6.1331.6345.9033
Daidzein107.62 ± 9.3838.32142.813
Phloretin74.55 ± 24.2444.5649.7287
Ellagic acid62.61 ± 9.3427.5440.3217
EGCG66.01 ± 11.5946.7264.262
Ursolic acid977.38 ± 125.30−65.3824.1527
Kaempferol316.67 ± 14.3330.3141.5717
Naringenin967.54 ± 70.9530.0838.021