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

• Autores: Ramón García Domenech, Mayra C. Montealegre Angarita, Edwige G. Nagham, Nancy Sandoval, Manuel Santana
• Localización: Anales de la Real Academia Nacional de Farmacia, ISSN-e 1697-4298, ISSN 0034-0618, Nº. 1, 2010, págs. 45-58
• Idioma: español
• Enlaces
  • Texto completo (pdf)
• 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.