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Highlights in BACE1 Inhibitors for Alzheimer's Disease Treatment

Coimbra, Judite R. M.; Marques, Daniela F. F.; Baptista, Salete J.; Pereira, Cláudia Fragão; Moreira, Paula I.; Dinis, Teresa C. P.; Santos, Armanda E.

Alzheimer's disease (AD) is a severe neurodegenerative disorder and the most common type of dementia in the elderly. The clinical symptoms of AD include a progressive loss of memory and impairment of cognitive functions interfering with daily life activities. The main neuropathological features consist in extracellular amyloid-β (Aβ) plaque deposition and intracellular Neurofibrillary tangles (NFTs) of hyperpho...


Novel PARP-1 Inhibitor Scaffolds Disclosed by a Dynamic Structure-Based Pharmac...

Baptista, Salete J.; Silva, Maria M. C.; Moroni, Elisabetta; Meli, Massimiliano; Colombo, Giorgio; Dinis, Teresa C. P.; Salvador, Jorge A. R.

PARP-1 inhibition has been studied over the last decades for the treatment of various diseases. Despite the fact that several molecules act as PARP-1 inhibitors, a reduced number of compounds are used in clinical practice. To identify new compounds with a discriminatory PARP-1 inhibitory function, explicit-solvent molecular dynamics simulations using different inhibitors bound to the PARP-1 catalytic domain wer...


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