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.
|Data di pubblicazione:||2006|
|Titolo:||A Multivariate Analysis of HIV-1 Protease Inhibitors and Resistance Induced by Mutation|
|Autori:||ALMERICO, AM; TUTONE, M; LAURIA, A; DIANA, P; BARRAJA, P; MONTALBANO, A; CIRRINCIONE, G; DATTOLO, G|
|Tipologia:||Articolo su rivista|
|Citazione:||ALMERICO, A.M., TUTONE, M., LAURIA, A., DIANA, P., BARRAJA, P., MONTALBANO, A., et al. (2006). A Multivariate Analysis of HIV-1 Protease Inhibitors and Resistance Induced by Mutation. JOURNAL OF CHEMICAL INFORMATION AND MODELING, 46, 168-179.|
|Appare nelle tipologie:||01 - Articolo su rivista|