Aplicación de la Topología Molecular en la búsqueda de nuevos agentes activos frente a Leishmania
- García Domenech, Ramón
- Domingo Puig, C.
- Esteve Martínez, M.A.
ISSN: 1697-4298, 0034-0618
Datum der Publikation: 2008
Nummer: 3
Seiten: 345-368
Art: Artikel
Andere Publikationen in: Anales de la Real Academia Nacional de Farmacia
Zusammenfassung
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.