Resumen

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-Oct-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.

Palabras clave : Alzheimer's disease; acetylcholinesterase; β-amyloid peptide; QSAR; molecular docking.

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