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Table 3 Docking scores or binding affinity of the selected compounds with the kappa-opioid receptor (PDB: 6VI4), human delta-opioid receptor (PDB: 4RWD), Beta-ketoaryl-ACP synthase 3 receptor (PDB: 1HNJ), Glutathione reductase (PDB: 3GRS), Urase oxidase (1R4U) for the antidiarrheal, antibacterial and antioxidant activity respectively

From: Antidiarrheal, antimicrobial and antioxidant potentials of methanol extract of Colocasia gigantea Hook. f. leaves: evidenced from in vivo and in vitro studies along with computer-aided approaches

Docking Score

 

Antidiarrheal

Antibacterial

Antioxidant

Compounds

PubChem ID

4RWD

6VI4

1HNJ

3GRS

1R4U

Standard (Loperamide/Amoxicillin/Ascorbic acid)

3955/ 2764/54670067

−6.6

−10.1

−4.5

−6.0

−5.4

Alpha-Amyrin

73170

−7.9

−10.3

−4.5

−10.1

−6.7

Beta-Amyrin

73145

−7.2

−9.5

–

−10.4

−7.1

Monoglyceryl stearic acid

24699

−4.3

−9.8

−6.1

−5.5

− 4.6

Penduletin

5320462

−5.4

−8.4

−5.7

−7.4

−6.1