QSAR analysis of analogs of bis[2-(acylamino)phenyl] disulfides,2-(acylamino)benzenethiols and S-[2-(acylamino)phenyl] alkanethioates as antihyperlipidemic agents

摘要

A series of antihyperlipidemic analogs of bis[2-(acylamino)phenyl]disulfides,2-(acylamino)benzenethiols and S-[2-(acylamino)phenyl] alkanethioates has been subjected to quantitative structure activity relationship analysis.They show that the cholesteryl ester transfer protein inhibitors as determined in the human are having significant correlation with steric(Principle moment of inertia of X-component)and thermodynamic(logP and bend energy)properties of the molecule.Molecular modelling and QSAR analysis suggest that substitution at R_1 with bulkier group is more favourable for cholesteryl ester transfer protein(CETP)inhibitory activity while keeping R_2 unsubstituted or substituted with smaller groups results in more potent CETP inhibitors.