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Proc Natl Acad Sci U S A. 2012 Nov 20;109(47):19196-201. doi: 10.1073/pnas.1206376109. Epub 2012 Nov 6.

Dereplicating nonribosomal peptides using an informatic search algorithm for natural products (iSNAP) discovery.

Author information

1
Department of Chemistry, M. G. DeGroote Institute for Infectious Disease Research, McMaster University, Hamilton, ON, Canada, L8S 4K1.

Abstract

Nonribosomal peptides are highly sought after for their therapeutic applications. As with other natural products, dereplication of known compounds and focused discovery of new agents within this class are central concerns of modern natural product-based drug discovery. Development of a chemoinformatic library-based and informatic search strategy for natural products (iSNAP) has been constructed and applied to nonribosomal peptides and proved useful for true nontargeted dereplication across a spectrum of nonribosomal peptides and within natural product extracts.

PMID:
23132949
PMCID:
PMC3511102
DOI:
10.1073/pnas.1206376109
[Indexed for MEDLINE]
Free PMC Article

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