Exploring the Anticancer Potential of Novel Piperidine-Embedded Isoxazol-Triazole Conjugates Against MCF-7 Human Breast Adenocarcinoma Cell Line: Design, Synthesis, In Silico, and In Vitro Investigations.

Cancer remains a major global health challenge, particularly as several tumors develop resistance to current therapies. Although doxorubicin is widely used to treat various cancers, its effectiveness is often limited by adverse effects, including cardiotoxicity and nephrotoxicity, which restrict its dosing. In search of safer and more effective options, a series of novel piperidine-embedded isoxazol-triazole conjugates (6a-6o) were designed, synthesized, and biologically evaluated against the MCF-7 cell line in this study. The synthesized compounds 6a-6o were characterized using FTIR, HRMS, and 1H and 13C NMR spectroscopy analysis to confirm their structure and verify successful synthesis. The GI50 (Growth Inhibition 50%) values of synthesized compounds 6a-6o were determined using the SRB assay. Among all synthesized compounds, 6m exhibited the most potent antiproliferative activity against MCF-7 cells, having GI50 <10 µg/mL (SI >5), comparable to adriamycin (doxorubicin, GI50 <10 µg/mL). Overall, 6m is a novel anticancer agent with promising abilities against MCF-7 human breast cancer. The results support the compounds relevance as a biologically active agent with effective proliferation-suppressive properties.