Molecular docking of Anopheles gambiae and Aedes aegypti glutathione S-transferases epsilon 2 (GSTE2) against usnic acid: an evidence of glutathione conjugation
Título del documento: Molecular docking of Anopheles gambiae and Aedes aegypti glutathione S-transferases epsilon 2 (GSTE2) against usnic acid: an evidence of glutathione conjugation
Revista: Brazilian archives of biology and technology
Base de datos: PERIÓDICA
Número de sistema: 000388223
ISSN: 1516-8913
Autores: 1
2
Instituciones: 1Universidade Federal de Pernambuco, Departamento de Zoologia, Recife, Pernambuco. Brasil
2Universidade Federal de Pernambuco, Departamento de Quimica Fundamental, Recife, Pernambuco. Brasil
Año:
Periodo: Sep-Oct
Volumen: 57
Número: 5
Paginación: 689-694
País: Brasil
Idioma: Inglés
Tipo de documento: Nota breve o noticia
Enfoque: Experimental
Resumen en inglés The aim of this study was to develop a theoretical model using Anopheles gambiae GSTE2 structure as template for Aedes aegypti GSTE2 by homology modeling Docking simulations were performed for both the enzymes against usnic acid in neutral and anionic forms. Ramachandran plot revealed that 93.9% of the GSTE2 model residues were located on most favored regions. Model evaluation was made by the ANOLEA and GROMOS analysis. Docking results indicated that the enzymes were able to form glutathione-conjugate with usnic acid in both the forms (anionic and neutral)
Disciplinas: Biología,
Química
Palabras clave: Insectos,
Bioquímica,
Mosquitos,
Resistencia a insecticidas,
Modelos moleculares,
Glutatión S-transferasa,
Acido úsnico,
Anopheles gambiae,
Aedes aegypti,
Diptera
Keyword: Biology,
Chemistry,
Insects,
Biochemistry,
Mosquitoes,
Insecticides resistance,
Molecular models,
Glutathione S-transferase,
Usnic acid,
Anopheles gambiae,
Aedes aegypti,
Diptera
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