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On-line Access: 2012-01-18

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Journal of Zhejiang University SCIENCE B 2012 Vol.13 No.2 P.83-93

10.1631/jzus.B1100049


Quantitative structure-activity relationships of antimicrobial fatty acids and derivatives against Staphylococcus aureus


Author(s):  Hui Zhang, Lu Zhang, Li-juan Peng, Xiao-wu Dong, Di Wu, Vivian Chi-Hua Wu, Feng-qin Feng

Affiliation(s):  Department of Food Science and Nutrition, Zhejiang University, Hangzhou 310058, China; more

Corresponding email(s):   fengfq@zju.edu.cn

Key Words:  Fatty acid derivatives, Quantitative structure-activity relationship, Comparative molecular field analysis, Antimicrobial activity


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Hui Zhang, Lu Zhang, Li-juan Peng, Xiao-wu Dong, Di Wu, Vivian Chi-Hua Wu, Feng-qin Feng. Quantitative structure-activity relationships of antimicrobial fatty acids and derivatives against Staphylococcus aureus[J]. Journal of Zhejiang University Science B, 2012, 13(2): 83-93.

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author="Hui Zhang, Lu Zhang, Li-juan Peng, Xiao-wu Dong, Di Wu, Vivian Chi-Hua Wu, Feng-qin Feng",
journal="Journal of Zhejiang University Science B",
volume="13",
number="2",
pages="83-93",
year="2012",
publisher="Zhejiang University Press & Springer",
doi="10.1631/jzus.B1100049"
}

%0 Journal Article
%T Quantitative structure-activity relationships of antimicrobial fatty acids and derivatives against Staphylococcus aureus
%A Hui Zhang
%A Lu Zhang
%A Li-juan Peng
%A Xiao-wu Dong
%A Di Wu
%A Vivian Chi-Hua Wu
%A Feng-qin Feng
%J Journal of Zhejiang University SCIENCE B
%V 13
%N 2
%P 83-93
%@ 1673-1581
%D 2012
%I Zhejiang University Press & Springer
%DOI 10.1631/jzus.B1100049

TY - JOUR
T1 - Quantitative structure-activity relationships of antimicrobial fatty acids and derivatives against Staphylococcus aureus
A1 - Hui Zhang
A1 - Lu Zhang
A1 - Li-juan Peng
A1 - Xiao-wu Dong
A1 - Di Wu
A1 - Vivian Chi-Hua Wu
A1 - Feng-qin Feng
J0 - Journal of Zhejiang University Science B
VL - 13
IS - 2
SP - 83
EP - 93
%@ 1673-1581
Y1 - 2012
PB - Zhejiang University Press & Springer
ER -
DOI - 10.1631/jzus.B1100049


Abstract: 
Fatty acids and derivatives (FADs) are resources for natural antimicrobials. In order to screen for additional potent antimicrobial agents, the antimicrobial activities of FADs against Staphylococcus aureus were examined using a microplate assay. Monoglycerides of fatty acids were the most potent class of fatty acids, among which monotridecanoin possessed the most potent antimicrobial activity. The conventional quantitative structure-activity relationship (QSAR) and comparative molecular field analysis (CoMFA) were performed to establish two statistically reliable models (conventional QSAR: R2=0.942, Q2LOO=0.910; CoMFA: R2=0.979, Q2=0.588, respectively). Improved forecasting can be achieved by the combination of these two models that provide a good insight into the structure-activity relationships of the FADs and that may be useful to design new FADs as antimicrobial agents.

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