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Please use this identifier to cite or link to this item: http://repositorio.ufba.br/ri/handle/ri/14412

Title: 2D Quantitative structure–activity relationship studies on a series of cholesteryl ester transfer protein inhibitors
Other Titles: Bioorganic and Medicinal Chemistry
Authors: Castilho, Marcelo Santos
Guido, Rafael V. C.
Andricopulo, Adriano D.
Keywords: QSAR;Coronary heart disease;Trifluoro-3-amino-2-propanol derivatives;CETP;Inhibitors;Coronariopatias
Issue Date: 2007
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 (r2 = 0.76, q2 = 0.72) and hologram QSAR (r2 = 0.88, q2 = 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.
Description: Texto completo: acesso restrito. p. 6242-6252
URI: http://repositorio.ufba.br/ri/handle/ri/14412
ISSN: 0968-0896
Appears in Collections:Artigos Publicados em Periódicos (FARMACIA)

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