A QSAR study on some series of anti-hepatitis B virus (HBV) agents

Abstract

A quantitative structureactivity relationship (QSAR) study has been made on some series of antihepatitis B virus (HBV) agents, namely, a series of novel bis(Lamino acid) ester prodrugs of a similar series of compounds comprising of 2 purine bis(2,2,2 trifluoroethyl) esters, and a series of 1isopropylsulfonyl2amine benzimidazoles. In each case significant correlations are found between the antiHBV potencies and some physicochemical and steric properties of the compounds, indicating that for the first two series the activity is controlled by the hydrophobic and the bulk properties of the molecules and, for the third series, the steric and hydrogen bonding properties of compounds are crucial for their antiHBV potency.