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
Aldizkaria:
Anales de la Real Academia Nacional de Farmacia

ISSN: 1697-4298,  0034-0618

Argitalpen urtea: 2010

Zenbakia: 1

Orrialdeak: 45-58

Mota: Artikulua

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Laburpena

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.

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