Quantitative structure-activity relationships using comparative molecular field analysis studies on 2-(p-substituted benzyl)-5-(substituted carbonylamino)benzoxazoles as antibacterial agents against Staphylococcus aureus

被引：0

作者：

Yildiz-Oren, I ^{[1
]}

Tekiner-Gulbas, B ^{[1
]}

Temiz-Arpaci, O ^{[1
]}

Yalcin, I ^{[1
]}

Aki-Sener, E ^{[1
]}

机构：

[1] Ankara Univ, Fac Pharm, Dept Pharmaceut Chem, TR-06100 Ankara, Turkey

来源：

ASIAN JOURNAL OF CHEMISTRY | 2004年 / 16卷 / 3-4期

关键词：

3D-QSAR comparative molecular field analysis; antibacterial activity; 2-benzylbenzoxazole; Stapyhlococcus aureus;

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The 3D-QSAR studies using comparative molecular, field analysis (CoMFA) approach on a set of 2-(p-substituted benzyl)-5-(substituted carbonylarnino)benzoxazoles as antibacterial agents against Staphylococcus aureus by considering the steric and electrostatic influences have been presented. The CoMFA analysis gave cross- validated r(2) value of 0.480 and non cross-validated r(2) = 0.950 with an optimized component of 4. The model deduced from this investigation provides underlying structural requirements and good predictive ability, which could aid the new antibacterial agents for Staphylococcus aureus prior to their synthesis.

引用

页码：1359 / 1366

页数：8

共 41 条

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[2] Synthesis and antimicrobial activity of new 2-[p-substituted-benzyl]-5-[substituted-carbonyl-amino]benzoxazoles
Yildiz-Oren, I
Tekiner-Gulbas, B
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[3] Effect of Substitution on the Antimycobacterial Activity of 2-(Substituted benzyl)sulfanyl Benzimidazoles, Benzoxazoles, and Benzothiazoles-A Quantitative Structure-Activity Relationship Study
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[5] MECHANISTIC INTERPRETATION OF THE GENOTOXICITY OF NITROFURANS (ANTIBACTERIAL AGENTS) USING QUANTITATIVE STRUCTURE-ACTIVITY-RELATIONSHIPS AND COMPARATIVE MOLECULAR-FIELD ANALYSIS
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[7] QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIPS FOR THE INHIBITION OF ESCHERICHIA-COLI DIHYDROFOLATE-REDUCTASE BY 5-(SUBSTITUTED BENZYL)-2,4-DIAMINOPYRIMIDINES
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