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Table 3 Binding affinity, number of hydrogen bonds, amino acid residues, and bond length of docked studied compounds inside 3HOK obtained from molecular docking analysis

From: Ameliorative effects of Artemisia and Echinacea extracts against hepato and cardiotoxicity induced by DMBA on albino rats: experimental and molecular docking analyses

Compounds

Binding affinity (Kcal/mol)

Number of hydrogen bonds

Amino acid residues

Bond length (Ã…)

Artelinic acid

 − 7.60

3

CYS 919, ASP 1046, GLU 885

2.33, 2.18, 2.45

Artemiside

 − 8.52

3

CYS 919, GLU 885, PHE 1047

2.36, 2.48, 2.19

Artemisone

 − 8.89

3

LEU 840, PHE 1047, ASP 1046

2.23, 2.21, 2.18

Artemotil

 − 7.50

2

ASP 1046, VAL 899

2.44, 2.39

Artenimol

 − 7.28

3

PHE 1047, ASP 1046, ALA 866

2.43, 2.45

Caffeic acid

 − 8.30

3

CYS 919, ASP 1046, PHE 1047

2,50, 2.39, 2.35

Caftaric acid

 − 8.00

3

PHE 1047, CYS 919, GLU 885

2.41, 2.51, 2.27, 2.56

Chicoric acid

 − 9.71

3

ASP 1046, GLU 885, PHE 1047

2.40, 2.33, 2.39, 2.21, 2.18

Chlorogenic acid

 − 9.23

3

ASP 1046, GLU 885, CYS 1045

2.52, 2.37,2.49

Echinacoside

 − 9.75

5

ASP 1046, GLU 885, LYS 868, VAL 899, CYS 1045

2.32, 2.38, 2.36, 2.25, 2.23, 2.45

pyrrolopyrimidine

 − 7.15

3

CYS 919, ASP 1046, GLU 885

2.36, 2.29, 2.41, 2.44