Metal complexes of Pregabalin: Design, synthesis, characterization and biological evaluation

Abstract In the current study, a series of Schiff base derivatives of pregabalin are complexed with zinc and copper, and characterized by spectroscopic techniques and biological assays. Docking analysis revealed two complexes with favorable binding interactions, which were further subjected to in-vitro anti-inflammatory and anticancer activities. The complex 5c displayed most potent anti-inflammatory activity against oxidative burst assay with IC50 value of 5.7±1.0 as compared with the standard ibuprofen with IC50 value of 11.2±1.9; whereas, complex 4b displayed most potent antiproliferative activity against HeLa cell lines with IC50 value of 1.0±0.12 as compared with the standard doxorubicin with IC50 value of 0.9±0.14. Computational studies were carried out using the reported crystal structure of multidrug resistant Alpha-2S protein (PDB-ID: 6ND9), neurokinin-1 receptor (PDB-ID: 2KSA) and dihydrofolate reductase (PDB-ID: 3GHW); indicating the compound 4b showed significant interactions at all receptors.