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A Multivariate Analysis of HIV-1 Protease Inhibitors and Resistance Induced by Mutation

  • Autori: Almerico, A.; Tutone, M.; Lauria, A.; Diana, P.; Barraja, P.; Montalbano, A.; Cirrincione, G.; Dattolo, G.
  • Anno di pubblicazione: 2006
  • Tipologia: Articolo in rivista (Articolo in rivista)
  • OA Link:


This paper describes the use of the multivariate statistical procedure principal component analysis as a tool to explore the inhibitory activity of classes of protease inhibitors (PIs) against HIV-1 viruses (wild type and more-frequent single mutants, V82A, V82F, and I84V) and against protease enzymes. The analysis of correlations between biological activity and molecular descriptors or similarity indexes allowed a reliable classification of the 51 derivatives considered in this study. The best results were obtained in the case of the I84V mutant for which a high number of predictions was achieved. On this basis, this statistical approach is proposed as a reliable method for the prediction of the activity of PIs, for which the data against mutant strains have not been reported.