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) |