| Quantitative structure-activity relationships of antimicrobial fatty acids and derivatives against Staphylococcus aureus. | |
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MedLine Citation:
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PMID: 22302421 Owner: NLM Status: In-Data-Review |
Abstract/OtherAbstract:
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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. |
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Authors:
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Hui Zhang; Lu Zhang; Li-Juan Peng; Xiao-Wu Dong; Di Wu; Vivian Chi-Hua Wu; Feng-Qin Feng |
Publication Detail:
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Type: Journal Article |
Journal Detail:
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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:
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Created Date: 2012-02-03 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 101236535 Medline TA: J Zhejiang Univ Sci B Country: China |
Other Details:
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Languages: eng Pagination: 83-93 Citation Subset: IM |
Affiliation:
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Department of Food Science and Nutrition, Zhejiang University, Hangzhou 310058, China; ZJU-ENS Joint Laboratory of Medicinal Chemistry, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China; Department of Food Science and Human Nutrition, University of Maine, Orono 04469, USA. |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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