Table 6 PRODIGY score and predicted inhibition constant value for docked complexes
Polyphenol | PRODIGY score, ΔG in Kcal/mol (Predicted Ki, µM) | |||||
|---|---|---|---|---|---|---|
p38α | JNK | ERK | NF-κB | PKCα | Calmodulin-1 | |
Quercetin glucoside | -9.2 ± 0.14 (0.18) |  |  | -8.4 ± 0.13 (0.69) | -8.7 ± 0.30 (0.41) | -8.8 ± 0.30 (0.35) |
3,5-Di-O-caffeoylquinic acid |  | -9.5 ± 0.06 (0.11) | -9.3 ± 0.08 (0.15) |  |  |  |
Caffeoyl-D-glucose | -7.4 ± 0.06 (3.71) | -7.6 ± 0.13 (2.65) | -7.4 ± 0.05 (3.71) | -6.1 ± 0.06 (33.4) | -7.7 ± 0.10 (2.24) | -7.6 ± 0.01 (2.65) |