Abstract
In this study, two series of imidazopyridine-linked thiazolidinone rings (5a-hand6a-h) constituting 16 new compounds were synthesized and tested for their antiproliferative activity against a panel of three human cancer cell lines, that is, MCF-7 (human breast cancer), A549 (human lung cancer), and DU145 (human prostate cancer). Three compounds,5h,6f, and6h, exhibited remarkable results against all three cell lines, but compound6hwas found to be the most active one against the breast cancer cell line. Among all the synthesized compounds,6hdisplayed the highest antioxidant results. Furthermore, the potent compounds5h,6f, and6hshowed no signs of toxicity at doses ranging from 50 to 500 mg/kg of animal body weight. The biochemical parameters (SGOT and SGPT) of compound6hnearly matched the control in hepatotoxicity studies. The molecular docking and MM-GBSADG binding studies are in agreement with the in vitro anticancer and antioxidant activity results. The most promising compound6hwas found to have the highest docking score and binding energy, and its absorption, distribution, metabolism, and excretion (ADME) parameters are in the acceptable range. Thus, it can be concluded that6h, an imidazopyridine derivative endowed with a thiazolidinone ring system, has the potential to be developed as an anticancer agent.