LAUSR

HIGHLIGHTSSeries of estrone analogs were synthesized.Cell proliferation, cytotoxicity, and estrogenic/anti‐estrogenic activities were evaluated.LA‐7 alcohol derivative exhibited selective anti‐estrogenic activity towards ER‐&agr; at 5.49 &mgr;M. ABSTRACT Series of estrone based analogs were synthetically investigated at positions C‐9, C‐11, C‐16, and C‐17 positions, to be biologically evaluated via assessment of cell proliferation, cytotoxicity, and estrogenic/anti‐estrogenic activity. LA‐7 and LA‐10 revealed their potential to exhibit inhibitory estrogenic profile. This was further validated by Estrogen Receptor‐&agr; (ER‐&agr;) and Estrogen Receptor‐&bgr; (ER‐&bgr;) competitive binding assays to reveal the high selective affinity of LA‐7 towards ER‐&agr; at 5.49 &mgr;M, while LA‐10 did not show any binding affinity towards neither ER‐&agr; nor ER‐&bgr;; suggesting another mechanism for inhibition. This was validated by in silico molecular docking simulations of LA‐7 to reveal the optimum binding affinity of LA‐7 towards ER‐&agr;.