A QSAR study on some series of anti­hepatitis B virus (HBV) agents

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 9­[2­­(phosphonomethoxy)ethyl]adenine, a similar series of compounds comprising of 2­ amino­6­arylthio­9­[2­(phosphonoethoxy)ethyl] 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.