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

Alyar S., ÖZBEK N., Kuzukiran K., KARACAN N.

MEDICINAL CHEMISTRY RESEARCH, vol.20, no.2, pp.175-183, 2011 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 20 Issue: 2
  • Publication Date: 2011
  • Doi Number: 10.1007/s00044-010-9304-7
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.175-183
  • Gazi University Affiliated: Yes


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 ((3)chi(A)) was found to have negative correlation. The best QSAR models were further validated by leave-one-out method of cross-validation.