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

被引：0
作者：
Saliha Alyar
Neslihan Özbek
Kübra Kuzukıran
Nurcan Karacan
机构：
[1] Çankırı Karatekin University,Department of Chemistry, Science and Art Faculty
[2] Ahi Evran University,Department of Primary Education, Faculty of Education
[3] Gazi University,Department of Chemistry, Science and Art Faculty
来源：
Medicinal Chemistry Research | 2011年 / 20卷
关键词：
Antimicrobial activity; Sulfonamides; Disulfonamides; QSAR;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
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 \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$ \left( {^{3} \chi^{\text{A}} } \right) $$\end{document} was found to have negative correlation. The best QSAR models were further validated by leave-one-out method of cross-validation.
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页码：175 / 183
页数：8
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共 181 条
[1]  
Agrawal VK(2001)QSAR studies on some antimalarial sulfonamides Bioorg Med Chem 9 3287-3293
[2]  
Srivastava R(2009)Synthesis, characterization, antimicrobial activity and structure–activity relationships of new aryldisulfonamides J Enzym Inhib Med Chem 24 986-992
[3]  
Khadikar PV(2007)Synthesis and antimicrobial activity of new substituted arylsulfonamides Drugs Future 32 126-149
[4]  
Alyar S(2008)Tautomeric properties, conformations and structure of 2-hydroxyacetophenone methanesulfonylhydrazone J Mol Struct 889 144-1717
[5]  
Karacan N(2004)Crystal structure of 7,8-dihydropteroate, synthase from bacillus anthracis: mechanism and novel inhibitor design Struct 12 1705-174
[6]  
Alyar S(2005)Prediction of anti-inflammatory activity of Croat Chem Acta 78 165-412
[7]  
Ozbek N(2004)-arylanthranilic acids: computational approach using refined Zagreb indices Mol Divers 8 401-496
[8]  
Karacan N(1966)QSAR study using topological indices for inhibition of carbonic anhydrase II by sulfanilamides and Schiff bases Am J Clin Pathol 45 493-220
[9]  
Alyar S(2008)Antibiotic susceptibility testing by a standardized single disk method Med Chem Res 18 206-1562
[10]  
Ozmen UO(1999)QSAR analysis of Z Naturforsch 54 1553-1580
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