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Alessandra S. Kiametis, João B. L. Martins, Luiz A. S. Romeiro and Ricardo Gargano Acetylcholinesterase inhibitors: Modeling potential candidates International Journal of Quantum Chemistry 113

Version of Record online: 6 NOV 2012 | DOI: 10.1002/qua.24341

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Increased levels of acetylcholine by reversible inhibition of acetilcolinesterase (AChE) are considered to improve the cognitive profile of Alzheimer's disease patients. This work presents some candidates for AChE inhibitors, selected considering possible ligand–receptor interactions, and their molecular descriptors. Among these candidates calculations identify a derivate of donepezil, a bioactive drug.

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