Abstract
Three-dimensional QSAR studies for substituted aryloxazolidinones 3–9 were conducted using TSAR 3.3. The in vitro activities (MICs) of the compounds against Staphylococcus aureus and Enterococcus faecalis exhibited a good correlation with the prediction made by the model using heat of formation and LUMO energies.
Highlights
Multidrug resistant Gram-positive bacteria continue to pose challenges to the medicinal chemistry community.[1]
The present study aims to validate if compounds 8–9 follow the same parameters for the prediction of their activity, namely, that lower HOF and lower LUMO energies result in more potent antibacterial compounds
In view of the fact that, generally, reported MICs may vary from laboratory to laboratory by a factor of one dilution (i.e. 2 to 4 or 4 to 8), but some of the above compounds (8h, 8i, 8j, 8m and 8r) needed special deliberation
Summary
Multidrug resistant Gram-positive bacteria continue to pose challenges to the medicinal chemistry community.[1]. Arylacryloylpiperazin-1-yl-phenyl-oxazolidinones 3–7 using TSAR 3.3.4 The in vitro antibacterial activities (MICs) of compounds 3–7 against Staphylococcus aureus ATCC 25923 exhibited a strong correlation with the prediction made by our model. With the help of Equation 2, we predicted MIC values for all the compounds
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