Dereplication of microbial metabolites through database search of mass spectra

By H. Mohimani, Alexey A. Gurevich, Alexander Shlemov, Alla Mikheenko, Anton I. Korobeynikov, Liu Cao, Egor Shcherbin, Louis-Félix Nothias, Pieter C. Dorrestein, Pavel A. Pevzner. Nature Communications, 2018

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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. New natural products can be identified via mass spectrometry by excluding all known ones from the analysis, a process called dereplication. Here, the authors extend a previously published dereplication algorithm to different classes of secondary metabolites.

Subfields: Molecular Biology, Pharmacology

View Paper: https://www.semanticscholar.org/paper/0bc0a7810dfe5983d3b23bdc46fb4a0c10242430