Discovery of Thiopyrimidinone Derivatives as a New Class of Human Aldose Reductase Inhibitors

Diabetes is a chronic metabolic disorder characterized by insufficient insulin production, the cells’ inability to use this insulin, or combination of both, leading secondary complications such as diabetic neuropathy and retinopathy. One way prevent control aldose reductase (AR) inhibitors. In work, we synthesized tested new candidates for human AR inhibition containing 2-thiopyrimidin-4-one heterocycle central ring. The fifteen derivatives were in vitro their binding modes evaluated via molecular docking simulations. assays showed that all compounds able inhibit enzyme at 50 μM. From these results, seven noteworthy had half maximal inhibitory concentration (IC50) values estimated, ranging from 2.0 14.5 Molecular simulations bind specifically catalytic subpocket results indicate good association between silico studies.