Computational Chemistry of Oxadiazole metal complexes

Oxadiazoles are five-membered heterocycles that contain three heteroatoms in the same ring. Heretocycles bearing nitrogen, sulphur, or oxygen constitutes the core structure of a number of biologically interesting compounds such as tetrazoles, oxadiazoles, and triazoles, which are structural sub-units of several biologically active compounds. Compounds containing the oxadiazole moiety play a pivotal role in various pharmaceutical applications.The 1,3,4-oxadiazoles are of significant interest in synthetic and medicinal chemistry due to its wide range of biological activities such as anti-inflammatory , antifungal, antibacterial, antiviral, and anticancer. Due to the flexibility, selectivity and sensitivity of these oxadiazoles towards central metal ions, they are often used as chelating ligands in the field of coordination chemistry. This is principally because of their mode of coordination, which gives rise to a wide variety of biological activities. Therefore, metal complexes of these ligands are often synthesized to model new therapeutic agents.