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  • Title: New potential AChE inhibitor candidates.
    Author: de Paula AA, Martins JB, dos Santos ML, Nascente Lde C, Romeiro LA, Areas TF, Vieira KS, Gambôa NF, Castro NG, Gargano R.
    Journal: Eur J Med Chem; 2009 Sep; 44(9):3754-9. PubMed ID: 19446931.
    Abstract:
    We have theoretically studied new potential candidates of acetylcholinesterase (AChE) inhibitors designed from cardanol, a non-isoprenoid phenolic lipid of cashew Anacardium occidentale nut-shell liquid. The electronic structure calculations of fifteen molecule derivatives from cardanol were performed using B3LYP level with 6-31G, 6-31G(d), and 6-311+G(2d,p) basis functions. For this study we used the following groups: methyl, acetyl, N,N-dimethylcarbamoyl, N,N-dimethylamine, N,N-diethylamine, piperidine, pyrrolidine, and N,N-methylbenzylamine. Among the proposed compounds we identified that the structures with substitution by N,N-dimethycarbamoyl, N,N-dimethylamine, and pyrrolidine groups were better correlated to rivastigmine, and represent possible AChE inhibitors against Alzheimer disease.
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