Organic ligands have gained significant attention in cancer research due to their notable cytotoxic activity; therefore, this study reports the synthesis, characterization, and initial bioactivity screening of a new heterocyclic ligand: 4-(4-(quinolin-8-yloxy)-1,2,5-thiadiazol-3-yl) morpholine. The ligand was successfully synthesized and characterized through nuclear magnetic resonance (NMR), elemental analysis, and single-crystal X-ray diffraction. Its antiproliferative effects were tested against a panel of two cell lines, being Human breast adenocarcinoma (MCF7, ATCC® HTB-22™) cells and Human acute monocytic leukemia (THP-1, ATCC® TIB-202™) cells. In silico predictions, guided by AI models, indicated promising pharmacophoric features and potential biological activity. Bioactivity evaluation, including anticancer assays, demonstrated limited activity under the tested conditions; however, the observed responses suggest that the ligand may serve as a viable scaffold for future structural modifications. With appropriate optimization, this ligand has the potential to yield improved anticancer activity against various cancer cell lines in future studies.
Motente et al. (Wed,) studied this question.