TABLE 2.
Results of molecular docking analysis for PCA with key cognitive enhancement-related target proteins.
| Target protein (PBD ID) | Docking score (kcal/mol) | Binding energy (kcal/mol) | Interaction |
|---|---|---|---|
| M1 receptor (5CXV) | −6.807 | −28.38 | H-bond: THR189, THR192, TYR381, ASN382 π-π interaction: TRP157 |
| AChE (1EVE) | −5.728 | −38.01 | H-bond: ARG289, PHE288, PHE331 π-π interaction: PHE290, TRP297 |
| NMDA receptor (5U8C) | −5.390 | −16.49 | H-bond: THR116, SER114, SER173 ARG121, TYR214, THR174 π-π interaction: HIE88 |
| GSK-3 (1Q5K) | −5.554 | −37.00 | H-bond: VAL135, ASP133, LYS85 Salt bridge: LYS85 |
| β-secretase (1TQF) | −5.383 | −27.70 | H-bond: GLN73, THR72 |