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. 2023 Sep 4;23:307. doi: 10.1186/s12906-023-04129-y

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)