Design, Molecular Docking, Synthesis, Anticancer activity of Thiazolidinedione derivatives

Newly designed thiazolidine-2, four-diones RD1-RD15 were synthesized, and their anticancer activities were screened against MCF-7 cancer cells. They exhibited significant activities against MCF-7 cancer cell lines. Compounds RD3 and RD9 were identified as highly potent derivatives against MCF-7 (IC50 = 6.58 and 9.15 µM, respectively). The highly effective derivatives RD1, RD9, RD6, and RD15 were also tested against VERO normal cell lines. All derivatives were evaluated for their androgen inhibitory activities and showed varying degrees of potency, with IC50 values ranging from 0.07 to 0.83 µM. Additionally, derivatives RD1, RD6, and RD15 were assessed to confirm their in vitro binding affinities for anticancer activities. Finally, docking studies were conducted to investigate their affinities and binding modes toward androgen receptors.