Table 2.

Details of energies between top-ranked herbal isolates and BACE1 catalytic site achieved from the AutoDock software.

Ligand name	Intermolecular energy (kcal/mol)	Total internal energy (kcal/mol)	Torsional free energy (kcal/mol)	Unbound system's energy (kcal/mol)	Free binding energy (kcal/mol)
Ponciretin	−8.57	−2.26	1.49	−0.55	−8.78
Chrysophanol	−7.54	−2.18	1.19	−0.31	−8.21
Danthron	−7.67	−2.13	1.19	−0.31	−8.30
N-p-Coumaroyltyramine	−11.03	−0.63	2.98	−0.17	−8.51

BACE1, β-site amyloid precursor protein cleaving enzyme 1.