Synthesis, characterization, geometric optimization and multi-target therapeutic evaluation of new homoleptic and heteroleptic Cd(II) carboxylates

In this study, nine Cd(II) carboxylates including three homoleptic and six heteroleptic complexes were synthesized in water at ambient conditions. Five different ligands (4-chlorophenylacetic acid, 3-chlorobenzoic acid, diphenyl acetic acid, 1,10-phenanthroline and 2,2-bipyridine) were used to form the Cd(II) coordination complexes. The carboxylate complexes were characterized by analytical techniques (SCXRD, 1H NMR, 13C NMR, FTIR, DRS and melting point). These complexes were investigated for anti-bacterial activity (against six different multidrug resistant bacterial strains of Staphylococcus aureus), anti-leishmanial activity and anti-glycation activity. The complexes were also evaluated for their inhibition potential against the pharmacologically important enzymes such as alkaline phosphatase, urease, α-glucosidase and acetyl cholinesterase. Various computational features explored by DFT calculations indicated that these materials could be potentially employed in biological, optoelectronic and electrical applications. SCXRD of (C28H24Cd2Cl4O12) Paddle-Wheel shaped Complex U20. NMR, absorption coefficient, TGA and properties of some complexes. [Display omitted] •Nine Cd(II) carboxylate complexes are synthesized at ambient conditions.•The complexes are characterized by NMR DRS, TGA, SCXRD etc.•Complexes are theoretically investigated by using DFT calculations.•These coordination complexes are studied for their anti-bacterial and anti-leishmanial activity.•Enzyme inhibition studies revealed them as potent inhibitors.•Future research on these metal carboxylates may lead to discovery of new drugs.