PNAS 2012-11-20

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

Ashraf Ibrahim, Lian Yang, Chad Johnston, Xiaowen Liu, Bin Ma, Nathan A Magarvey

Index: Proc. Natl. Acad. Sci. U. S. A. 109(47) , 19196-201, (2012)

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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.