Identification of Estrogen Receptor α Antagonists from Natural Products via In Vitro and In Silico Approaches

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