Quantitative structure-activity relationships studies for prediction of antimicrobial activity of synthesized disulfonamide derivatives

A new series of disulfonamides were synthesized and assayed as antimicrobial agents against Staphylococcus aureus, Bacillus cereus, and Escherichia coli. The quantitative structure-activity relationship analysis (QSAR) was applied to find out the correlation between experimentally evaluated antimicr...

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Bibliographic Details
Published in:Medicinal chemistry research 2011, Vol.20 (2), p.175-183
Main Authors: Alyar, Saliha, Özbek, Neslihan, Kuzukıran, Kübra, Karacan, Nurcan
Format: Article
Language:English
Subjects:
Antimicrobial activity
Biochemistry
Biomedical and Life Sciences
Biomedicine
Cell Biology
Disulfonamides
Original Research
Pharmacology/Toxicology
QSAR
sulfonamides
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Summary:A new series of disulfonamides were synthesized and assayed as antimicrobial agents against Staphylococcus aureus, Bacillus cereus, and Escherichia coli. The quantitative structure-activity relationship analysis (QSAR) was applied to find out the correlation between experimentally evaluated antimicrobial activities with various parameters of the compounds using stepwise multiple liner regression method. The QSAR analysis revealed that the third-order average connectivity index [graphic removed] was found to have negative correlation. The best QSAR models were further validated by leave-one-out method of cross-validation.
ISSN:1054-2523
1554-8120
DOI:10.1007/s00044-010-9304-7