Table 1.
Comparison between inhibition constant values (K i) derived from cell-based assay and in silico molecular docking simulations of bioactive peptides in cauliflower fraction 8.
K i calculated from cell-based assay | Peptide sequence | Energy affinity | K i calculated from in silico simulation results |
---|---|---|---|
8.6 μg ml−1 | GDSNPSNPKPRFGAY | -28.03 kJ/mol | 20 μg ml−1 |
PDSITWR | -25.10 kJ/mol | 34 μg ml−1 | |
GYNPSYGARPL | -25.52 kJ/mol | 40 μg ml−1 | |
FKDENGGKLIGF | -25.10 kJ/mol | 52 μg ml−1 |