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Antidiabetic Activity Prediction
| Receptor | Ligand | Binding energy (Kcal/mol) | Hydrogen bond |
|---|---|---|---|
| Alpha-glucosidase enzyme (3W37) | Acarbose | −8.0 | Arg552, His626, Asp568, Asp232, Asp469 |
| Berberine | −6.8 | Arg552, Lys506 | |
| Palmatine | −6.1 | Arg552, Asp568 | |
| DPP-IV enzyme (6B1E) | Vildagliptin | −6.4 | Tyr547, Ser630 |
| Sitagliptin | −8.6 | Gln553, Tyr666, Glu206, Phe357 | |
| Berberine | −7.4 | Tyr547, Tyr585, Tyr662, Gln553 | |
| Palmatine | −7.1 | Tyr547, Tyr585, Lys554, Cys551 |
