Insights into Cancer Cell Imaging Probes Based on Chalcone Scaffolds: Theoretical and Experimental Perspectives

The research article details the synthesis of chalcone-chromone-based scaffolds via multicomponent reactions. These compounds were characterized using conventional spectroscopic methods, including NMR (¹H and ¹³C), FT-IR, and HR-MS. Among the synthesized scaffolds, AZBNPy stood out, exhibiting exceptional DNA and protein targeting capabilities with superior binding parameters. Molecular docking studies indicated that AZBNPy has potential as a potent anticancer agent and a probe for cancer cell imaging. The findings showed that AZBNPy effectively inhibited cell proliferation and induced cell death by targeting HER-2, PARP-2, and HFR in MCF-7 cells. Additionally, in vitro fluorescence imaging studies confirmed AZBNPy’s specificity for cancer cell receptors, displaying strong fluorescence in human breast cancer tissues. The clinical application of AZBNPy as an optical imaging agent holds significant promise in aiding surgeons with the precise identification and removal of cancerous tissues, potentially improving patient outcomes and survival rates.