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New potential AChE inhibitor candidates by A.A.N. de Paula; J.B.L. Martins; M.L. dos Santos; L. de C. Nascente; L.A.S. Romeiro; T.F.M.A. Areas; K.S.T. Vieira; N.F. Gambôa; N.G. Castro; R. Gargano is a Chemistry article available to read on EtoBox.
What is New potential AChE inhibitor candidates about?
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 þ 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.
Who reads New potential AChE inhibitor candidates?
It is typically read by researchers, students, and practitioners in Chemistry.
- Author
- A.A.N. de Paula; J.B.L. Martins; M.L. dos Santos; L. de C. Nascente; L.A.S. Romeiro; T.F.M.A. Areas; K.S.T. Vieira; N.F. Gambôa; N.G. Castro; R. Gargano
- Publisher
- Elsevier Science; Elsevier ; Elsevier BV (ISSN 0223-5234)
- Published
- 2009
- Language
- EN
- Field
- Chemistry (Physical Sciences)