Institute of Sustainability for Chemicals, Energy and Environment (ISCE2), Agency for Science, Technology and Research (A*STAR), 8 Biomedical Grove, #07-01 Neuros Building, Singapore, 138665, Republic of Singapore.
Singapore Integrative Biosystems and Engineering Research (SIBER), Agency for Science, Technology and Research (A*STAR), Singapore, Republic of Singapore.
Sci Data. 2024 Sep 7;11(1):977. doi: 10.1038/s41597-024-03833-9.
Natural products encompass a diverse range of compounds with high impact applications in consumer care, agriculture and most notably, therapeutics. However, despite the expansive chemical repertoire indicated in genomic information of microbes, only a small subset can be obtained under laboratory conditions. To increase accessible chemical space and realize Nature's full chemical potential, a multi-pronged genetic- and cultivation-based strategy has been employed to activate and upregulate natural product biosyntheses in native and heterologous strains. This data descriptor documents a characterized collection of 2,138 liquid chromatography-tandem mass spectrometry (LC/MS-MS) spectra of fermentation extracts from 54 native actinobacterial strains collected from soil and marine environments in Singapore, and their 459 activated mutants in 3 to 5 media. A total of 743 unique metabolites have been identified, with the activated mutants demonstrating an approximately 2-fold expansion in accessible chemical space over wild type strains. Interrogating this expanded chemical diversity with cheminformatic tools can provide direction for the discovery of novel natural products with desirable functional activity.
天然产物包含多种具有广泛应用的化合物，在消费者护理、农业领域有显著应用，尤其是在治疗学领域。然而，尽管微生物的基因组信息表明其具有广泛的化学组成，但只有一小部分化合物可以在实验室条件下获得。为了增加可获得的化学空间并实现自然界的全部化学潜力，人们采用了一种多方面的基于遗传和培养的策略，以激活和上调天然产物生物合成在天然和异源菌株中的作用。本数据描述符记录了从新加坡土壤和海洋环境中收集的 54 株天然放线菌菌株的发酵提取物的 2138 个液相色谱-串联质谱（LC/MS-MS）图谱，以及它们在 3 到 5 种培养基中的 459 个激活突变体。共鉴定出 743 种独特代谢物，与野生型菌株相比，激活突变体的可获得化学空间大约扩大了 2 倍。利用化学信息学工具对这种扩展的化学多样性进行研究，可以为发现具有理想功能活性的新型天然产物提供方向。
