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

被引：16

作者：

Alyar, Saliha ^{[3
]}

Ozbek, Neslihan ^{[2
]}

Kuzukiran, Kubra ^{[1
]}

Karacan, Nurcan ^{[1
]}

机构：

[1] Gazi Univ, Dept Chem, Sci & Art Fac, TR-06500 Ankara, Turkey

[2] Ahi Evran Univ, Fac Educ, Dept Primary Educ, TR-40001 Kirsehir, Turkey

[3] Cankiri Karatekin Univ, Sci & Art Fac, Dept Chem, TR-18100 Cankiri, Turkey

来源：

MEDICINAL CHEMISTRY RESEARCH | 2011年 / 20卷 / 02期

关键词：

Antimicrobial activity; Sulfonamides; Disulfonamides; QSAR; BETA(3)-ADRENERGIC RECEPTOR AGONIST; CARBONYLS M(CO)(6) M; METAL-CARBONYLS; BIOLOGICAL-ACTIVITY; QSAR ANALYSIS; ANTIBACTERIAL ACTIVITY; TOPOLOGICAL INDEXES; SCHIFF-BASES; INHIBITORS; METHANESULFONYLHYDRAZONE;

D O I：

10.1007/s00044-010-9304-7

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

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

引用

页码：175 / 183

页数：9

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