Precise location of proton o beta-secretase for catalytic aspartates (Asp 32 and Asp 228) in Alzheimer's patients.

The article presents a study that examined the entire process of ß-site APP cleavage rate-limiting enzyme (BACE) enzymatic hydrolysis using quantum chemistry calculations, and pinpointed the precise proton location for two catalytic aspartates (Asp 32 and Asp 228) during the enzymatic process. The precise proton location was preferred on the outer oxygen of Asp 228 (228o) at the beginning of BACE catalytic reaction. The results offer theoretical guidance for developing drugs to protect neural cells and enhance neural regeneration in Alzheimer.