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  • Title: 2D Quantitative structure-activity relationship studies on a series of cholesteryl ester transfer protein inhibitors.
    Author: Castilho MS, Guido RV, Andricopulo AD.
    Journal: Bioorg Med Chem; 2007 Sep 15; 15(18):6242-52. PubMed ID: 17604633.
    Abstract:
    Coronary heart disease (CHD) is one of the major causes of human death. The most successful therapeutic approach available is based on the reduction of low density-lipoprotein cholesterol (LDL-C). However, it is believed that the next paradigm in CHD treatment will rely on increased HDL-C levels. One of the most promising strategies for this goal is the inhibition of cholesteryl ester transfer protein (CETP). In the present work, robust classical 2D QSAR (r(2)=0.76, q(2)=0.72) and hologram QSAR (r(2)=0.88, q(2)=0.70) models were developed for a series of 85 CETP inhibitors (N-N-disubstituted trifluoro-3-amino-2-propanol derivatives). These models are complementary in nature and highlight important structural features for the design of novel CETP inhibitors with improved potency.
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