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Lowest energies and the number of hydrogen bond and hydrophobic interactions of cardamonin, pinocembrin, and pinostrobin with BACE1.
| Ligands | Lowest Energy (kcal/mol) | No. of H-Bond | H-Bonds Interacting Residues | Bond Distance (Å) | van der Waals Interacting Residues |
|---|---|---|---|---|---|
| Cardamonin | −9.5 | Gln12, Leu30, Asp32, Val69, Tyr71, Lys75, Trp76, Phe108, Ile110, Trp115, Gly230 | |||
| Pinocembrin | −7.9 | 1 | LYS 75 | 3.09 | |
| Pinostrobin | −7.6 | 1 | PHE 108 | 1.99 |
