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Please use this identifier to cite or link to this item: http://repositorio.ufba.br/ri/handle/ri/3791

Title: Estudos de QSAR 3D para um conjunto de inibidores de butirilcolinesterase humana
Other Titles: Química Nova
Authors: Freitas, Humberto F.
Paz, Odailson S.
Castilho, Marcelo Santos
Keywords: Butyrylcholinesterase;Alzheimer;QSAR 3D
Issue Date: 2009
Abstract: Alzheimer's disease (AD) is considered the main cause of cognitive decline in adults. The available therapies for AD treatment seek to maintain the activity of cholinergic system through the inhibition of the enzyme acetylcholinesterase. However, butyrylcholinesterase (BuChE) can be considered an alternative target for AD treatment. Aiming at developing new BuChE inhibitors, robust QSAR 3D models with high predictive power were developed. The best model presents a good fit (r2=0.82, q2=0.76, with two PCs) and high predictive power (r2predict=0.88). Analysis of regression vector shows that steric properties have considerable importance to the inhibition of the BuChE.
Description: p. 2114-2121.
URI: http://www.repositorio.ufba.br/ri/handle/ri/3791
ISSN: 0100-4042
Appears in Collections:Artigos Publicados em Periódicos (FARMACIA)

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