Synthesis, characterization and molecular modeling of amino derived thiazolidinones as esterase and glucosidase inhibitors

The present study was designed to check enzyme (esterase and a-glucosidase) inhibition potential of newly synthesized thiazolidinones. Two precursors from ethylene diamine were prepared and further condensed with different aromatic aldehydes yielded fourteen different compounds. The synthesized compound 'a' was characterized with single crystal X-Ray diffraction (SC-XRD) technique, while the structures of all others were determined with FTIR and NMR (H-1 and C-13) spectroscopy. The compounds were further theoretically optimized through Gaussian 9 software and calculated their different parameters and energy gap between HOMO and LUMO. In-vitro enzyme inhibition studies were carried out spectrophotometrically which depicted that these molecules may be good therapeutic for targeted enzymes and their related diseases. Docking results of the synthetic thiazolidinone also advocated experimental out comes of the under studied compounds. (C) 2020 Elsevier B.V. All rights reserved.