Document Detail


Quantitative structure-activity relationships of antimicrobial fatty acids and derivatives against Staphylococcus aureus.
MedLine Citation:
PMID:  22302421     Owner:  NLM     Status:  MEDLINE    
Abstract/OtherAbstract:
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.
Authors:
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    
Affiliation:
Department of Food Science and Nutrition, Zhejiang University, Hangzhou 310058, China.
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MeSH Terms
Descriptor/Qualifier:
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
Chemical
Reg. No./Substance:
0/Anti-Infective Agents; 0/Fatty Acids
Comments/Corrections

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