Document Detail

Quantitative structure-activity relationships of antimicrobial fatty acids and derivatives against Staphylococcus aureus.
MedLine Citation:
PMID:  22302421     Owner:  NLM     Status:  MEDLINE    
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: R(2)=0.942, Q(2)(LOO)=0.910; CoMFA: R(2)=0.979, Q(2)=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.
Hui Zhang; Lu Zhang; Li-juan Peng; Xiao-wu Dong; Di Wu; Vivian Chi-Hua Wu; Feng-Qin Feng
Publication Detail:
Type:  Journal Article; Research Support, Non-U.S. Gov't    
Journal Detail:
Title:  Journal of Zhejiang University. Science. B     Volume:  13     ISSN:  1862-1783     ISO Abbreviation:  J Zhejiang Univ Sci B     Publication Date:  2012 Feb 
Date Detail:
Created Date:  2012-02-03     Completed Date:  2012-06-12     Revised Date:  2013-06-26    
Medline Journal Info:
Nlm Unique ID:  101236535     Medline TA:  J Zhejiang Univ Sci B     Country:  China    
Other Details:
Languages:  eng     Pagination:  83-93     Citation Subset:  IM    
Department of Food Science and Nutrition, Zhejiang University, Hangzhou 310058, China.
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MeSH Terms
Anti-Infective Agents / chemistry,  pharmacology*
Fatty Acids / chemistry,  pharmacology*
Microbial Sensitivity Tests
Models, Molecular
Principal Component Analysis
Quantitative Structure-Activity Relationship
Random Allocation
Staphylococcus aureus / drug effects*,  growth & development
Reg. No./Substance:
0/Anti-Infective Agents; 0/Fatty Acids

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