Table 2.
Molecular energy terms for interactions of two compounds and acarbose with α-glucosidase.
| Terms | Energy (kcal/mol) |
||
|---|---|---|---|
| 3b | 3c | Acarbose | |
| ΔEbinding | −222.452 | −260.950 | −159.271 |
| ΔEelec | −308.575 | −355.092 | −226.624 |
| ΔEvdW | −48.521 | −57.730 | −42.915 |
| ΔEpol | 110.132 | 123.521 | 73.328 |
| ΔEnpol | −24.009 | −29.379 | −19.643 |