Abstract
Background: Cancer is the global cause of death worldwide. Anticancer drug development is the need in today’s scenario. Thiazolidine is the nucleus that shows several pharmacological activities like anticancer, anti-inflammatory, antioxidant, antibacterial, antifungal, antidiabetic, antihyperlipidemic, and antiarthritic activity. In the present work molecular docking Glide module (Schrodinger Inc., USA) has been used for ligand docking against the Polo-like kinase-1. The series of substituted 3-Benzothiazol-2-yl-2-phenyl)-thiazolidin-4-ones were synthesized by the microwave-assisted synthesis system (CEM, USA) and characterized by melting point, FT-IR, 1H NMR, 13C NMR, and HR-MS analysis. Results: Molecular docking studies shows good docking score as well as interactions. Among the synthesized compounds, BG2 had the highest docking score of -8.381, followed by BG8 (-8.19) and BG1 (-8.156). All the newly synthesized compounds were examined for their in vitro anticancer activity against breast cancer cell line MCF-7 by Sulforhodamine B (SRB) assay. Conclusion: BG1, BG2, BG3, BG4, BG5, BG8, BG9, BG10, BG11, BG12, and BG13 (GI50: <80 µg/ml) exhibited significant cell growth inhibitory activity. These results indicate that compounds showing in-vitro activity by molecular docking studies and SRB assay could be lead compounds for further development of anticancer agents and suitable candidates for in-vivo anticancer activity.
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