Estrogenic and Anti-Androgenic Activities of Benzophenones in Human Estrogen and Androgen Receptor Mediated Mammalian Reporter Gene Assays

QSAR Model for Androgen Receptor Antagonism - Data from CHO Cell Reporter Gene Assays

“…The CVD drug fenofibrate contains the actual biophore but also a radical with a "high" number of atoms in 4-position and a significant biophobe and perform no AR antagonism.This finding adds new knowledge to the identification of chemical structures of importance for the AR antagonism of Benzophenones. Kowamura et al [44], has previously shown that a hydroxylated group at the 2-position generally enhances the antiandrogenic activity of benzophenones (Figure 2). Thus evaluating positive and negative chemicals in the alert groups of QSAR models may be a useable supplementary tool for potency evaluation.…”

“…CHO data from literature: The data in the training set is comprised of experimental AR antagonism data from 15 publications [2][3][4]37,[39][40][41][42][43][44][45][46][47][48][49]. The data represents a wide range of chemical structures and various functions and covers natural hormones, synthetic hormones and drugs, pesticides, Polyaromatic hydrocarbons (PAHs), polychlorinated biphenyls (PCBs), brominated flame retardants (BFRs), plasticizers and plastic additives, food additives and cosmetics, antioxidants, plant compounds, roast mutagens and various industrial chemicals.…”

“…Benzophenones: Benzophenones represent a group of chemicals with functions as drugs and UV stabilizers in sunscreens, cosmetics and plastics [44]. Hydroxyl groups in benzophenones increase the antiandrogenic activity.…”

“…Hydroxyl groups in benzophenones increase the antiandrogenic activity. The IC 50 value for benzophenone was 77 μM and the calculated IC 25 was 29 μM according to the reference [44]. Thus for the QSAR training set, benzophenone was classified as negative, while several of the hydroxylated benzophenone compounds were classified as positives [4,44].…”

“…The IC 50 value for benzophenone was 77 μM and the calculated IC 25 was 29 μM according to the reference [44]. Thus for the QSAR training set, benzophenone was classified as negative, while several of the hydroxylated benzophenone compounds were classified as positives [4,44]. six BFRs analyzed by NFI were included in the training set [4,5].…”