Data/hora: 03/06/2024 18:55:35

Provedor de dados: | 60
País: | Brazil
Título: | Synthesis and DPPH scavenging assay of reserpine analogues, computational studies and in silico docking studies in AChE and BChE responsible for Alzheimer's disease
Autores: | Yar,Muhammad; Arshad,Muhammad; Farooq,Ariba; Gilani,Mazhar Amjad; Ayub,Khurshid; Ejaz,Asma; Kumar,Anupriya; Ninomiya,Ichiya.
Data: | 2015-03-01
Ano: | 2015
Palavras-chave: | Alzheimer's disease; Antioxidant compounds; Chronic diseases; Density Functional Theory; Molecular docking; Computational studies; DPPH assay; Indole derivatives; Acetylcholinesterase (AChE); Butyrylcholinesterase (BChE).
Resumo: | Alzheimer's disease (AD) is a fast growing neurodegenerative disorder of the central nervous system and anti-oxidants can be used to help suppress the oxidative stress caused by the free radicals that are responsible for AD. A series of selected synthetic indole derivatives were biologically evaluated to identify potent new antioxidants. Most of the evaluated compounds showed significant to modest antioxidant properties (IC50 value 399.07 140.0±50 µM). Density Functional Theory (DFT) studies were carried out on the compounds and their corresponding free radicals. Differences in the energy of the parent compounds and their corresponding free radicals provided a good justification for the trend found in their IC50 values. In silico, docking of compounds into the proteins acetylcholinesterase (AChE) and butyrylcholinesterase (BChE), which are well known for contributing in AD disease, was also performed to predict anti-AD potential.
Tipo: | Info:eu-repo/semantics/article
Idioma: | Inglês
Identificador: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1984-82502015000100053
Editor: | Universidade de São Paulo, Faculdade de Ciências Farmacêuticas
Relação: | 10.1590/S1984-82502015000100006
Formato: | text/html
Fonte: | Brazilian Journal of Pharmaceutical Sciences  v.51 n.1 2015
Fonte: | info:eu-repo/semantics/openAccess