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Table 1 Properties of the docked conformations

From: Probing the anticancer mechanism of prospective herbal drug Withaferin A on mammals: a case study on human and bovine proteasomes

Receptor b20S b20S h20S
Thr1 proximity to Ester group of lactone ring Epoxy ring Ester group of lactone ring
Binding Energy -6.37 Kcal/mol -7.62 Kcal/mol -6.92 Kcal/mol
Ligand efficiency -0.19 -0.22 -0.2
Inhibitoin constant 21.29 µM 2.59 µM 8.45 µM
Intermolecular energy -7.71 Kcal/mol -8.07 Kcal/mol -7.57 Kcal/mol
Total internal energy -0.03 Kcal/mol -0.93 Kcal/mol -0.73 Kcal/mol