Alzheimer's Docking Studies: AChE, BChE, BACE-1 and Tau

By BioDockify Computational Research Team · September 23, 2026 · Disease Applications

Alzheimer's docking targets — AChE with donepezil control, BChE selectivity, BACE-1, tau aggregation — PDB IDs, natural compounds, and the docking + MD workflow for neuro targets.

Read the complete article with tables, code and references on BioDockify.

Key References

• Cheung, J. et al. Structures of human acetylcholinesterase with donepezil. J. Mol. Biol. (2012) — the 4EY7 lineage.
• Ferreira, L.G. et al. Molecular docking and structure-based drug design strategies. Molecules 20, 13384-13421 (2015).

Scope & Limitations

CNS targets add BBB permeability as a hard ADMET requirement Docking addresses molecular binding, not disease modification