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Table 5 Observations of the molecular docking studies

From: Antidiarrhoeal screening of Himalayan edible plant Begonia rubrovenia and its marker followed by its validation using computational analysis

Molecule

Target protein

PDB ID

Binding energy CDOCKER

(Discovery Studio)

Quercetin

TNF-α

1TNF

−106.4030 kcal/mol

IL1-β

1I1B

−131.2166 kcal/mol

EP3 prostanoid receptor

6AK3

−150.6988 kcal/mol