Resumen de Aplicación de la Topología Molecular en la búsqueda de nuevos agentes activos frente a Leishmania
Ramón García Domenech, C. Domingo Puig, M.A. Esteve Martínez
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.
