Dereplication of microbial metabolites through database search of mass spectra

Hosein Mohimani, Алексей Александрович Гуревич, Александр Юрьевич Шлемов, Алла Александровна Михеенко, Антон Иванович Коробейников, Liu Cao, Егор Щербин, Louis-Felix Nothias, P. C. Dorrestein, Павел Аркадьевич Певзнер

Research output

31 Citations (Scopus)

Abstract

Natural products have traditionally been rich sources for drug discovery. In order to clear the road toward the discovery of unknown natural products, biologists need dereplication strategies that identify known ones. Here we report DEREPLICATOR+, an algorithm that improves on the previous approaches for identifying peptidic natural products, and extends them for identification of polyketides, terpenes, benzenoids, alkaloids, flavonoids, and other classes of natural products. We show that DEREPLICATOR+ can search all spectra in the recently launched Global Natural Products Social molecular network and identify an order of magnitude more natural products than previous dereplication efforts. We further demonstrate that DEREPLICATOR+ enables cross-validation of genome-mining and peptidogenomics/glycogenomics results.

Original languageEnglish
Article number4035
Number of pages12
JournalNature Communications
Volume9
Issue number1
DOIs
Publication statusPublished - 1 Dec 2018

Scopus subject areas

  • Physics and Astronomy(all)
  • Chemistry(all)
  • Biochemistry, Genetics and Molecular Biology(all)

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