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Synthesis, SAR, and computational evaluation of novel thiazolidinone-based antidiabetic hybrids: insights from enzyme kinetics and DFT studies
Design and testing of new thiazolidinone-based diabetes drugs using enzyme behavior and computer modeling
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Abstract
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.
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