Resumo

BENCOMO-MARTINEZ, Alberto et al. Relational design of Alzheimer's disease drugs: QSAR and molecular docking studies. Rev Cub Quim [online]. 2022, vol.34, n.3, pp. 369-402.  Epub 24-Out-2022. ISSN 2224-5421.

Alzheimer's disease (AD) is a neurological disorder characterized by progressive memory loss due to biochemical processes of multifactorial origin. This leads to the disruption of neuronal synapses and, as a consequence, to dementia. In the present work, structure-activity relationship and molecular docking studies were performed on two series of compounds with activity against two therapeutic targets for AD: with anti-β-amyloid peptide aggregation effect and with inhibitory activity of the enzyme acetylcholinesterase. A significant and predictive model of 50 % inhibitory activity dependence (IC50) was obtained for each series. The molecular docking results predicted the form and mode of interaction of the compounds with each of the targets studied.

Palavras-chave : Alzheimer's disease; acetylcholinesterase; β-amyloid peptide; QSAR; molecular docking.

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