Optimal Conditions for Lavandula Angustifolia Secretion of Small Molecule Inhibitors of the Amyloidogenic Pathway

Essential Oils, the aromatic extract from many plants such as lavenders, possess many benefits through aromatherapy. Through in silico ADMET analysis and molecular docking, we posit that lavandulyl acetate is a small molecule component of lavandula angustifolia essential oil of particular interest as a treatment for Alzheimer’s. It shows promise in inhibiting BACE-1 (-6.1 kcal/mol binding affinity), the enzyme responsible for the amyloidogenic pathway, and is pharmacologically suitable. Additionally, we saw that slight to moderate water stressed conditions increase the production of both essential oil in general and lavandulyl acetate in particular. Therefore, we suggest that to maximise yield of these compounds, be that for current studies or treatment in the future, slight water stress may stimulate essential oil production.