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

摘要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 structureactivity relationships of the FADs and that may be useful to design new FADs as antimicrobial agents.

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分类号 TS221
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DOI 10.1631/jzus.B1100049
发布时间 2012-05-17(万方平台首次上网日期,不代表论文的发表时间)
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浙江大学学报(英文版)(B辑:生物医学和生物技术)

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