Mechanistic insights into mode of action of potent natural antagonists of BACE-1 for checking Alzheimer's plaque pathology

- Accumulation of Aβ plaques is one of the major pathology associated with Alzheimer's disease.
- Inhibition of β-Secretase or BACE-1 offers a viable prospect to check the growth of these plaques.
- A large virtual dataset of natural compounds was screened against BACE-1.
- Top two hits were analyzed for thermodynamic & structural stability using MD simulations.
- Their detailed binding mode of actions were elucidated.