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Dereplication of microbial metabolites through database search of mass spectra
Mohimani, H.; Gurevich, A.; Shlemov, A.; Mikheenko, A.; Korobeynikov, A.; Cao, L.; Shcherbin, E.; Nothias, L.-F.; Dorrestein, P.C.; Pevzner, P.A. (2018). Dereplication of microbial metabolites through database search of mass spectra. Nature Comm. 9(1): 4035. https://dx.doi.org/10.1038/s41467-018-06082-8
In: Nature Communications. Nature Publishing Group: London. ISSN 2041-1723; e-ISSN 2041-1723
Peer reviewed article  
Beschikbaar in  Auteurs 
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  • Mohimani, H.
  • Gurevich, A.
  • Shlemov, A.
  • Mikheenko, A.
  • Korobeynikov, A.
  • Cao, L.
  • Shcherbin, E.
  • Nothias, L.-F.
  • Dorrestein, P.C.
  • Pevzner, P.A.
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.
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