QSAR analysis of analogs of bis[2-(acylamino) phenyl] disulfides, 2-(acylamino)benzenethiols and S-[2-(acylamino) phenyl] alkanethioates as antihyperlipidemic agents
P. Hanumantharao, S.V. Sambasivarao, Love Kumar Soni, Avinash Kumar Gupta, Satish Gopalrao Kaskhedikar · Indian Journal of Chemistry Section B-organic Chemistry Including Medicinal Chemistry · 2005
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 determinsd 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.