Background: It was found that breast cancer susceptibility protein 1 (BRCA 1) binds to
estrogen receptor alpha (ERα) and inhibits its activity by direct interaction between domains within
the amino terminus of BRCA 1 and the carboxy terminus of ER alpha.
Objectives: The present work focuses to identify a new class of BRCA 1 mimetics that work differently
from conventional anti-estrogens.
Methods: A novel class of hybrids having coumate and benzimidazolone scaffolds were designed
to mimic BRCA 1 protein, suppressing the tumor activity of breast cancer cells. In silico molecular
docking studies of the designed ligands were performed on BRCA 1 binding cavity of ER alpha.
Results: The designed hybrids which gave significant docking scores and had optimum binding
interactions with key residues were selected for synthesis and in vitro assay.
Conclusion: The compounds NY1 and NY2 exhibited significant effects on suppressing MDAMB-
231 cells in the concentration of 24 μg/ml and 44 μg/ml, respectively.