Table 1.
Binding energies and interactions observed between the top pose of each ligand with acetylcholinesterase (AChE) receptor.
Ligand | Binding affinity (kcal/mol) | Interaction(s) with AChE sites | |
---|---|---|---|
CAS | PAS | ||
Curcumin | −9.6 | √ | √ |
Piperine | −10.5 | √ | √ |
Bacoside A | −3.2 | √ | |
Chebulinic acid | −6.7 | √ |