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IJC-B Vol.44B(07) [July 2005] >


Title: QSAR analysis of analogs of bis[2-(acylamino) phenyl] disulfides, 2-(acylamino)benzenethiols and S-[2-(acylamino) phenyl] alkanethioates as antihyperlipidemic agents
Authors: Hanumantharao, P
Sambasivarao, S V
Soni, L K
Gupta, A K
Kaskhedikar, S G
Keywords: QSAR analysis
phenyldisulphides
benzenethiols
phenyl alkanethionates
cholesteryl ester
Issue Date: Jul-2005
Publisher: CSIR
IPC CodeInt.Cl.7 C 07 C 321/28 // A 61 P 3/06
Abstract: 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 R1 with bulkier group is more favourable for cholesteryl ester transfer protein (CETP) inhibitory activity while keeping R2 unsubstituted or substituted with smaller groups results in more potent CETP inhibitors.
Page(s): 1481-1486
ISSN: 0975-0983(Online); 0376-4699(Print)
Source:IJC-B Vol.44B(07) [July 2005]

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