Table 4 Docking features and values for rutin and curcumin
Features | RUTIN | CURCUMIN |
|---|---|---|
Est. Free energy of binding | −4.26 kcal/mol | −4.67 kcal/mol |
Est. Inhibition Constant, Ki | 757.57 μM | 380.02 μM |
vdW + Hbond + desolv Energy | −5.43 kcal/mol | −6.37 kcal/mol |
Electrostatic energy | −0.01 kcal/mol | −0.12 kcal/mol |
Total intermolecular energy | −5.44 kcal/mol | −6.49 kcal/mol |
Interaction surface | 653.668 | 684.416 |