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- W2032067503 abstract "Oxazolidinones exemplified by eprezolid and linezolid are a new class of antibacterials that are active against Gram positive and anaerobic bacteria including methicillin-resistant Staphylococcus aureus (MRSA), methicillin-resistant Staphylococcus epidermidis (MRSE) and vancomycin resistant enterococci (VRE). In an effort to have a better antibacterial agent in the oxazolidinone class, we have performed three-dimensional quantitative structure–activity relationship (3D-QSAR) studies for a series of tricyclic oxazolidinones. 3D-QSAR studies were performed using the Comparative Molecular Field Analysis (CoMFA) and Comparative Molecular Similarity Indices Analysis (CoMSIA) procedures. These studies were performed using 42 compounds; the QSAR model was developed using a training set of 33 compounds. The predictive ability of the QSAR model was assessed using a test set of 9 compounds. The predictive 3D-QSAR models have conventional r2 values of 0.975 and 0.940 for CoMFA and CoMSIA respectively; similarly, cross-validated coefficient q2 values of 0.523 and 0.557 for CoMFA and CoMSIA, respectively, were obtained. The CoMFA 3D-QSAR model performed better than the CoMSIA model." @default.
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- W2032067503 date "2003-06-01" @default.
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- W2032067503 title "Three-dimensional quantitative structure–activity relationship (3D-QSAR) studies of tricyclic oxazolidinones as antibacterial agents" @default.
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- W2032067503 doi "https://doi.org/10.1016/s0968-0896(03)00157-3" @default.
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