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. 2022 Jun 29;17(6):e0270123. doi: 10.1371/journal.pone.0270123

Table 2. Estimated binding energies from Vina molecular docking.

Protein PDB ID Reference Ligand Binding Energy (kcal/mol)
Curcumin Reference Ligand
BACE1 2QP8 SCH734723 -8.5 10
GSTA1 4HJ2 Chlorambucil -9.6 -7.5
GSTO1 4YQM C1-27 -8.6 -6.6
KEAP1 6TYM 08A -8.6 -9.2
MAOA 2Z5X Harmine -9.2 -8.7