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DOI: 10.1055/s-0034-1382669
Informatic search for natural products (iSNAP) – A dereplication and discovery tool
The rapid identification of known natural products, specifically nonribosomal peptides (NRPs), has been a constant challenge in modern drug discovery paradigms. Use of a modular database search approach and tandem mass spectrometry, iSNAP chemoinformatic processes have been shown to be effective tools for dereplicating NRPs from a variety of culture media1. Given that NRPs often exist in biosynthetic families, metabolomic tools that both dereplicate known compounds and statistically identify their analogs is presented.
1Ibrahim, A., Yang, L., Johnston, C., Liu, X., Ma, B., Magarvey, N.A. Dereplicating nonribosomal peptides using an informatic search algorithm for natural products (iSNAP) discovery. Proc. Natl. Acad. Sci. (USA), 2012, 109 (47), 19196 – 201.