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Table 1 Properties of the docked conformation

From: Non-nucleosidic inhibition of Herpes simplex virus DNA polymerase: mechanistic insights into the anti-herpetic mode of action of herbal drug withaferin A

Ligand

withaferin A

Docked using

AutoDock

Binding energy

-8.46 Kcal/mol

Ligand efficiency

-0.25

Inhibition constant

624.75 nM

Intermolecular energy

-9.03 Kcal/mol

Total internal energy

-0.8 Kcal/mol