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Table 2 Mean binding energies and interactions of docked phytochemicals of Rumex abyssinicus with Cyclooxygenase-2(1CX2)

From: Effect of Rumex Abyssinicus on preneoplastic lesions in dimethylhydrazine induced colon carcinogenesis in rats

Compounds

Mean (ΔG) (Kcal/mol)

Number of H-bond

Amino Acid Residues involved in H-bond

Rehin

−7.91

3

ARG120, TYR355, TYR385

Catenarin

−7.30

3

ARG120, TYR385, SER530

Emodin

−7.27

3

ARG120, TYR385, SER530

Emodic acid

−7.69

3

ARG120, TYR355, TYR385

Physcoin

−7.84

3

ARG120, TYR385, SER530

Chrysophanol

−7.48

1

GLY526

Damnacanthal

−7.78

2

TYR355

Alizarin

−6.83

nil

NONE

Aloe-emodin

−7.28

2

TYR355, GLY526