Research Article
BACE1 Inhibition Utilizing Organic Compounds Holds Promise as a Potential Treatment for Alzheimer’s and Parkinson’s Diseases
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 |
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BACE1, β-site amyloid precursor protein cleaving enzyme 1.
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