| Summary: | Four new complexes derived from adamantly containing hydrazone (<b>APH</b>) ligand with Cu(II) (<b>1</b>), Co(II) (<b>2</b>), Ni(II) (<b>3</b>) and Zn(II) (<b>4</b>), have been synthesized and characterized using different physicochemical methods. The structure of the ligand <b>APH</b> and its copper complex <b>1</b> have been established by single-crystal X-ray diffraction direct methods, which reveal that complex <b>1</b> has distorted square-pyramidal geometry. Complexes <b>1</b>–<b>4</b> are screened against seven human cancer cell lines namely, breast cancer cell lines (MCF7, T47D, MDA-MB-231), prostate cancer cell lines (PC3, DU145) and the colorectal cancer cell line Coco-2, for their antiproliferative activities. Complex <b>1</b> has shown a promising anticancer activity compared to the other ones. The structural and spectroscopic analysis of <b>APH</b> and its complexes are confirmed by DFT calculations.
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