ArticleMethods in molecular biology (Clifton, N.J.)2027
Annotation and Dereplication of Peptidic Natural Products (PNPs).
Article in Methods in molecular biology (Clifton, N.J.), 2027. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Peptidic natural products (PNPs) represent a structurally diverse class of bioactive compounds with significant pharmaceutical potential. Their characterization using tandem mass spectrometry (MS/MS) is often challenging due to complex fragmentation patterns arising from nonlinear structures, modified residues, and diverse bond types. NRPro is a web-based computational tool designed to facilitate both dereplication and automatic annotation of MS/MS spectra of PNPs. By integrating theoretical fragmentation modeling with database matching and statistical validation, NRPro provides an interactive platform for identifying known compounds and interpreting spectral data. This chapter describes the principles, workflow, and practical use of NRPro, including data preparation, parameter selection, result interpretation, and troubleshooting. Particular attention is given to common pitfalls and best practices to ensure reliable annotation and identification of PNPs.
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