Aplicación de la Topología Molecular en la búsqueda de nuevos agentes activos frente a Leishmania

• Autores: Ramón García Domenech, C. Domingo Puig, M.A. Esteve Martínez
• Localización: Anales de la Real Academia Nacional de Farmacia, ISSN-e 1697-4298, ISSN 0034-0618, Nº. 4 3, 2008, págs. 345-368
• Idioma: español
• Títulos paralelos:
  • Application of the Molecular Topology in the search of new agents actives against Leishmania
• Enlaces
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• Resumen

  • A topological-mathematical model has been arranged to search for new derivatives of 3,5-dinitrobenzene sulphonamide and/or benzamide, active against L. donovani. By using linear discriminant analysis as well as multilinear regression, a model capable to identify the activity of 90% of the analyzed compounds has been achieved. After carrying out a virtual screening based upon such a model, new structures potentially active against the parasite are proposed.