Six-membered cyclic ureas as HIV-1 protease inhibitors: A QSAR study based on CODESSA PRO approach

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.