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Rapid, Selective, and Sensitive Method for Semitargeted Discovery of Congeneric Natural Products by Liquid Chromatography Tandem Mass Spectrometry
Journal of Natural Products ( IF 3.3 ) Pub Date : 2021-02-01 , DOI: 10.1021/acs.jnatprod.0c01190 Kithsiri B Herath 1 , Stephen F Previs 1 , Thomas P Roddy 1 , Athula B Attygalle 2 , Ignacio González 3 , Olga Genilloud 3 , Sheo B Singh 1
Journal of Natural Products ( IF 3.3 ) Pub Date : 2021-02-01 , DOI: 10.1021/acs.jnatprod.0c01190 Kithsiri B Herath 1 , Stephen F Previs 1 , Thomas P Roddy 1 , Athula B Attygalle 2 , Ignacio González 3 , Olga Genilloud 3 , Sheo B Singh 1
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Natural product congeners serve a useful role in the understanding of natural product biosynthesis and structure–activity relationships. A minor congener with superior activity, selectivity, and modifiable functional groups could serve as a more effective lead structure and replace even the original lead molecule that was used for medicinal chemistry modifications. Currently, no effective method exists to discover targeted congeners rapidly, specifically, and selectively from producing sources. Herein, a new method based on liquid-chromatography tandem-mass spectrometry combination is evaluated for targeted discovery of congeners of platensimycin and platencin from the extracts of Streptomyces platensis. By utilizing a precursor-ion searching protocol, tandem mass spectrometry not only confirmed the presence of known congeners but also provided unambiguous detection of many previously unknown congeners of platensimycin and platencin. This high-throughput and quantitative method can be rapidly and broadly applied for dereplication and congener discovery from a variety of producing sources, even when the targeted compounds are obscured by the presence of unrelated natural products.
中文翻译：
通过液相色谱串联质谱法半靶向发现同类天然产物的快速、选择性和灵敏的方法
天然产物同类物在理解天然产物生物合成和结构-活性关系方面发挥着重要作用。具有优异活性、选择性和可修饰官能团的次要同源物可以作为更有效的先导结构，甚至可以取代用于药物化学修饰的原始先导分子。目前，还没有有效的方法可以快速、具体、选择性地从生产源中发现目标同源物。在此，评估了一种基于液相色谱串联质谱组合的新方法，用于从钝顶链霉菌提取物中有针对性地发现扁菌素和扁菌素的同系物. 通过使用前体离子搜索协议，串联质谱不仅证实了已知同源物的存在，而且还提供了对许多以前未知的平板霉素和平板菌素同源物的明确检测。这种高通量和定量方法可以快速而广泛地应用于从各种生产来源中进行去复制和同源物发现，即使目标化合物因不相关的天然产物的存在而变得模糊。
更新日期：2021-03-26
中文翻译：
通过液相色谱串联质谱法半靶向发现同类天然产物的快速、选择性和灵敏的方法
天然产物同类物在理解天然产物生物合成和结构-活性关系方面发挥着重要作用。具有优异活性、选择性和可修饰官能团的次要同源物可以作为更有效的先导结构，甚至可以取代用于药物化学修饰的原始先导分子。目前，还没有有效的方法可以快速、具体、选择性地从生产源中发现目标同源物。在此，评估了一种基于液相色谱串联质谱组合的新方法，用于从钝顶链霉菌提取物中有针对性地发现扁菌素和扁菌素的同系物. 通过使用前体离子搜索协议，串联质谱不仅证实了已知同源物的存在，而且还提供了对许多以前未知的平板霉素和平板菌素同源物的明确检测。这种高通量和定量方法可以快速而广泛地应用于从各种生产来源中进行去复制和同源物发现，即使目标化合物因不相关的天然产物的存在而变得模糊。
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