Molecular docking score, binding affinity values, no. of interacting residues, common interacting residues, and no. of hydrogen bonds for the binding of bioactive compounds of black rice bran with α-glucosidase enzyme.
Ligands | Docking score (kcal mol−1) | Binding affinity (kcal mol−1) | No. of interacting residues | No. of common interacting residues | No of H-bonds |
---|---|---|---|---|---|
COG | −12.872 | −92.47 | 23 | 12 | 5 |
FLS | −11.925 | −58.91 | 24 | 13 | 10 |
α-d-Glucopyranose | −9.304 | −26.22 | 16 | 16 | 7 |
SPA | −5.858 | −30.86 | 16 | 8 | 3 |
PCmA | −4.382 | −15.97 | 9 | 0 | 2 |
SYA | −4.315 | −23.29 | 16 | 13 | 2 |
PCA | −3.773 | −8.65 | 10 | 0 | 3 |