Journal
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
Volume 12, Issue 23, Pages 3453-3457Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/S0960-894X(02)00741-2
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Quantitative structure-activity relationships (QSAR) for HIV-1 protease inhibitory activity of substituted tetra-hydropyrimidinones have been produced using CODESSA PRO methodology and software. The best four-parameter equation (R-CV(2) = 0.847) allowed us to repeal two main structural factors which are strongly correlated with the title activity: molecular hydrophobicity and ability to form hydrogen bonds,with the target enzyme. (C) 2002 Elsevier Science Ltd. All rights reserved.
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