Aplicación de la topología molecular para la predicción de la actividad anti-VIH-1 de un grupo de compuestos análogos del aciclovir y ganciclovir

  1. García Domenech, Ramón
  2. Montealegre Angarita, Mayra C.
  3. Nagham, Edwige G.
  4. Sandoval, Nancy
  5. Santana, Manuel
Revista:
Anales de la Real Academia Nacional de Farmacia

ISSN: 1697-4298 0034-0618

Año de publicación: 2010

Número: 1

Páginas: 45-58

Tipo: Artículo

Otras publicaciones en: Anales de la Real Academia Nacional de Farmacia

Resumen

By using multilinear regression analysis, a topological-mathematical model has been built to predict the anti-HIV-1 activity for a group of acyclovir and ganciclovir analogs. The structural depiction was performed by using topological indices and one model with four variables for the prediction of EC50 (R2 = 0.8762 and Q2 = 0.8216) was selected. The model was checked by cross-validation, internal validation and randomization test. The results confirm its capability to predict the property analyzed.