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In the book, a novel series of biologically active metal complexes was successfully synthesized and thoroughly characterized using various spectroscopic techniques. These compounds were designed with the aim of enhancing their potential pharmacological properties. In addition, experimental studies are compared to theoretical studies, such as density functional theory and docking studies. The strategic incorporation of pharmacophores within the hybrid molecules was inspired by the structural features commonly found in existing bioactive molecules, thereby increasing the likelihood of producing compounds with significant biological relevance.