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. 2018 May 10;2018:6040149. doi: 10.1155/2018/6040149

Table 4.

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

Chemical IC50 (nM) -CDOCKER_ENERGY -CDOCKER_INTERACTION_ENERGY
Estradiol 7.38 ± 0.80 32.60 42.1106
Genistein 29.38 ± 6.13 31.63 45.9033
Daidzein 107.62 ± 9.38 38.321 42.813
Phloretin 74.55 ± 24.24 44.56 49.7287
Ellagic acid 62.61 ± 9.34 27.54 40.3217
EGCG 66.01 ± 11.59 46.72 64.262
Ursolic acid 977.38 ± 125.30 −65.38 24.1527
Kaempferol 316.67 ± 14.33 30.31 41.5717
Naringenin 967.54 ± 70.95 30.08 38.021