Table 4.
MD trajectory values of isoeugenol and acarbose complexed with α-glucosidase.
MD Trajectory Values | Apo-Protein | Protein-Acarbose Complex | Protein-Isoeugenol Complex |
---|---|---|---|
RMSD | 0.30–0.40 nm | 0.25–0.32 nm | 0.20–0.25 nm |
Rg | 3.10–3.14 nm | 2.39–2.45 nm | 2.39–2.45 nm |
SASA | 350–370 nm2 | 240–250 nm2 | 240–250 nm2 |
Ligand H-bonds | - | 9 | 7 |