Design and testing of new thiazolidinone-based diabetes drugs using enzyme behavior and computer modeling

The synthesized benzothiazole based thiazolidinone derivatives exhibited α-amylase inhibitory activities with IC values ranging from 3.60 ± 0.10 µM to 19.30 ± 0.20 µM.

• These derivatives were designed to potentially inhibit carbohydrate-hydrolyzing enzymes linked to type 2 diabetes management.
• Inhibitory activities for α-glucosidase ranged from 4.40 ± 0.20 µM to 20.60 ± 0.40 µM.
• Compound 9, characterized by a trifluoromethyl group, demonstrated significant binding interaction indicating high potency.
• Molecular docking studies suggested insights into how these analogs interact with the target enzymes.
• ADMET analysis indicated the drug-likeness of the most potent compounds.

Simplified