BACE1 Inhibition Utilizing Organic Compounds Holds Promise as a Potential Treatment for Alzheimer’s and Parkinson’s Diseases

Figure 4

The structures of BACE1 in the presence of (a) ponciretin, (b) chrysophanol, (c) danthron, (d) N-p-coumaroyltyramine, and (e) DB07206 were superimposed after a 100 ns MD simulation. The protein chains before and after the MD analysis are depicted in gray and blue, respectively. The anthraquinones are displayed in yellow and pink before and after the MD simulations. BACE1, β-site amyloid precursor protein cleaving enzyme 1; MD, molecular dynamics.

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