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首页> 外文期刊>The Journal of Antibiotics: An International Journal >Enhanced dereplication of fungal cultures via use of mass defect filtering
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Enhanced dereplication of fungal cultures via use of mass defect filtering

机译：通过使用大规模缺陷过滤增强了真菌培养的全体

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摘要

Effective and rapid dereplication is a hallmark of present-day drug discovery from natural sources. This project strove to both decrease the time and expand the structural diversity associated with dereplication methodologies. A 5 min liquid chromatographic run time employing heated electrospray ionization (HESI) was evaluated to determine whether it could be used as a faster alternative over the 10 min ESI method we reported previously. Results revealed that the 5 min method was as sensitive as the 10 min method and, obviously, was twice as fast. To facilitate dereplication, the retention times, UV absorption maxima, full-scan HRMS and MS/MS were cross-referenced with an in-house database of over 300 fungal secondary metabolites. However, this strategy was dependent upon the makeup of the screening in-house database. Thus, mass defect filtering (MDF) was explored as an additional targeted screening strategy to permit identification of structurally related components. The use of a dereplication platform incorporating the 5 min chromatographic method together with MDF facilitated rapid and effective identification of known compounds and detection of structurally related analogs in extracts of fungal cultures.
机译：有效和快速的含量是自然来源的当前药物发现的标志。该项目跨越减少时间并扩大与寄养方法相关的结构分集。评价使用加热电喷雾电离（HESI）的5分钟的液体色谱研发时间，以确定它是否可以在我们先前报道的10分钟ESI方法中用作更快的替代方法。结果表明，5分钟的方法与10分钟的方法一样敏感，显然，速度是两倍。为了促进统计，保留时间，UV吸收最大值，全扫描HRMS和MS / MS与300多个真菌次级代谢物的内部数据库交叉。但是，这种策略取决于筛选内部数据库的化妆。因此，探索质量缺陷滤波（MDF）作为额外的靶向筛选策略，以允许识别结构相关的组分。使用包含5分钟色谱法的寄生平台与MDF一起促进了已知化合物的快速有效鉴定了真菌培养提取物中的已知化合物和检测结构相关类似物。

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    Paguigan Noemi D.; El-Elimat Tamam; Kao Diana; Raja Huzefa A.; Pearce Cedric J.; Oberlies Nicholas H.;

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    Univ North Carolina Greensboro Dept Chem &

    Biochem 435 Sullivan Sci Bldg Greensboro NC 27402 USA;

    Univ North Carolina Greensboro Dept Chem &

    Biochem 435 Sullivan Sci Bldg Greensboro NC 27402 USA;

    Univ North Carolina Greensboro Dept Chem &

    Biochem 435 Sullivan Sci Bldg Greensboro NC 27402 USA;

    Univ North Carolina Greensboro Dept Chem &

    Biochem 435 Sullivan Sci Bldg Greensboro NC 27402 USA;

    Mycosynthetix Hillsborough NC USA;

    Univ North Carolina Greensboro Dept Chem &

    Biochem 435 Sullivan Sci Bldg Greensboro NC 27402 USA;

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  • 正文语种 eng
  • 中图分类 药学;
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