Nano-Detoxification of Organophosphate Agents by PAMAM Derivatives

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Miniatura
Fecha
2015
Profesor/a Guía
Facultad/escuela
Idioma
en
Título de la revista
ISSN de la revista
Título del volumen
Editor
Sociedade Brasileira de Química
Nombre de Curso
Licencia CC
Licencia CC
Resumen
For the first time, the adsorption of pesticides such as azinphos-methyl and methamidophos by polyamidoamine (PAMAM) derivatives was studied. Amine groups of PAMAM (G4 and G5) were functionalized with different biomolecules such as folic acid, coumarine, arginine, lysine, and asparagine. Subsequently, the synthesized compounds were used to trap organophosphates (OP), and its affinity to do so was measured by high-performance liquid chromatography (HPLC). The obtained experimental data was compared with the interaction energy values obtained through a nanoinformatic methodology, by using conformational sampling through Euler angles and semi‑empirical quantum mechanical calculations. Both, the experimental and the in silico methodology can be employed to screen with high accuracy the molecular interactions between OP agents and the functionalized PAMAM. Furthermore, affinity results by HPLC and molecular dynamics were supported by in vitro enzyme acetylcholinesterase activity assays.
Notas
Indexación: Web of Science; Scielo.
Palabras clave
Polyamidoamine (PAMAM), Azinphos-methyl (AZM), Methamidophos (MMP), Pesticides, Acetylcholinesterase activity (AChE), Semi-empirical calculations
Citación
J. Braz. Chem. Soc. vol.26 no.3 São Paulo Mar. 2015
DOI
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