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. 2021 Sep 21;12:743991. doi: 10.3389/fphar.2021.743991

TABLE 1.

Endocrine Disruptome calculated free energies and predicted probabilities for bisphenols binding to nuclear receptors.

Nuclear Conform Bisphenols binding
Receptor BPA BPAF BPS
Free energy (kcal/mol) Prediction Free energy (kcal/mol) Prediction Free energy (kcal/mol) Prediction
Androgen Agonist −8.4 Moderately high −7.1 Low −8.2 Moderately high
Antagonist −8.5 High −9.3 High −8.1 Moderately high
Glucocorticoid Agonist −7.6 Moderately low −8.3 Moderately low −7.6 Moderately low
Antagonist −7.5 Low −7.9 Low −7.1 Low