Anti-HIV Activity Study by Classical QSAR Method for 1-Alkoxymethyl-5-alkyl-6-naphthylmethyl Uracils as HEPT Analogues

摘要

2D QSAR model have been developed to estimate and predict anti HIV activities against HTV-1 for α and β forms of HEPT analogues (1 -alkoxymethyl-5-alkyl-6-naphthylrnethyI uracils). First, 15 HEPT analogues of α form were studied, and then 10 HEPT analogues of β form were studied, both studies was having good statistical significance, separately. But, for better understanding of the model, both the studies were harmonized. The conclusion for harmonised study upon a series of 15 HEPT ligands, inhibitors of HIV reverse transcriptase; using the QSAR that imply analysis of correlation and multi linear regression; a significant collection of descriptors was used. The best QSAR model with good correlation coefficient (r~2 = 0.792), of high statistical significance (> 99.9 %) well explained the variance in activity.