QSPR of 3-aryloxazolidin-2-one antibacterials.
A QSPR treatment has been applied to a data set consisting of 60 3-aryloxazolidin-2-one antibacterials to relate the in vitro minimum inhibitory concentration (MIC) (required to inhibiting growth of S. aureus) with theoretical molecular and fragment descriptors. The treatment using codessa pro descriptors leads to a seven-parameter model with r2 = 0.820 and r2cv = 0.758.
Katritzky
Alan R
AR
Center for Heterocyclic Compounds, Department of Chemistry, University of Florida, PO Box 117200, Gainesville, FL 32611, USA. katritzky@chem.ufl.edu
Fara
Dan C
DC
Karelson
Mati
M
D000900:Anti-Bacterial Agents / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D023303:Oxazolidinones / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D021281:Quantitative Structure-Activity Relationship; D013211:Staphylococcus aureus / Q000187:drug effects
D000900:Anti-Bacterial Agents; D023303:Oxazolidinones