Abstract

Hiba Ali Hasan, Sura S. Raoof, Basma M. Abd Razik

Heterocyclic compounds play an important role in biological systems and present broadly in natural and synthesised compounds such as vitamins, drugs and hormones. A series of thioxothiazolidin-4-one derivatives (3a-d) were synthesised by reaction of 3-amino rhodanine with different benzaldehydes and the structures of these compounds were confirmed via different spectroscopic methods such as FT-IR, 1H-NMR, and 13C-NMR. The physical properties of the scaffolds like melting points and Rf values of pure compounds were determined as well. All derivatives were virtually screened by molecular docking study inside the active site of (AChE) enzyme. All derivatives were successfully synthesised with a high yield 84-90%. The docking result of compound 3c displayed the highest inhibitory activity against AChE, with docking score (-10.572 kcal/mol). The synthesized compounds showed significant activity as AChE inhibitors in comparison with standard drug Donepezil