title: Dereplicating nonribosomal peptides using an informatic search algorithm for natural products (iSNAP) discovery.
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.
authors.affiliation: Department of Chemistry, M. G. DeGroote Institute for Infectious Disease Research, McMaster University, Hamilton, ON, Canada, L8S 4K1.
authors.forename: Ashraf
authors.initials: A
authors.lastname: Ibrahim
authors.forename: Lian
authors.initials: L
authors.lastname: Yang
authors.forename: Chad
authors.initials: C
authors.lastname: Johnston
authors.forename: Xiaowen
authors.initials: X
authors.lastname: Liu
authors.forename: Bin
authors.initials: B
authors.lastname: Ma
authors.forename: Nathan A
authors.initials: NA
authors.lastname: Magarvey
mesh_terms: D000465:Algorithms; D001407:Bacillus / Q000378:metabolism; D001414:Bacitracin / Q000737:chemistry; D001688:Biological Products / Q000032:analysis* / Q000737:chemistry; D045424:Complex Mixtures; D019295:Computational Biology / Q000379:methods*; D062126:Databases, Chemical; D005285:Fermentation; D010455:Peptides / Q000737:chemistry / Q000378:metabolism*; D015203:Reproducibility of Results; D012270:Ribosomes; D053719:Tandem Mass Spectrometry
chemical_list: D001688:Biological Products; D045424:Complex Mixtures; D010455:Peptides; D001414:Bacitracin; C026461:bacitracin A