title: NMR fingerprints of the drug-like natural-product space identify iotrochotazine A: a chemical probe to study Parkinson's disease.
abstract: The NMR spectrum of a mixture of small molecules is a fingerprint of all of its components. Herein, we present an NMR fingerprint method that takes advantage of the fact that fractions contain simplified NMR profiles, with minimal signal overlap, to allow the identification of unique spectral patterns. The approach is exemplified in the identification of a novel natural product, iotrochotazine A (1), sourced from an Australian marine sponge Iotrochota sp. Compound 1 was used as a chemical probe in a phenotypic assay panel based on human olfactory neurosphere-derived cells (hONS) from idiopathic Parkinson's disease patients. Compound 1 at 1 μM was not cytotoxic but specifically affected the morphology and cellular distribution of lysosomes and early endosomes.
authors.affiliation: Eskitis Institute for Drug Discovery, Griffith University, Brisbane, QLD, 4111 (Australia).
authors.forename: Tanja
authors.initials: T
authors.lastname: Grkovic
authors.forename: Rebecca H
authors.initials: RH
authors.lastname: Pouwer
authors.forename: Marie-Laure
authors.initials: ML
authors.lastname: Vial
authors.forename: Luca
authors.initials: L
authors.lastname: Gambini
authors.forename: Alba
authors.initials: A
authors.lastname: Noël
authors.forename: John N A
authors.initials: JN
authors.lastname: Hooper
authors.forename: Stephen A
authors.initials: SA
authors.lastname: Wood
authors.forename: George D
authors.initials: GD
authors.lastname: Mellick
authors.forename: Ronald J
authors.initials: RJ
authors.lastname: Quinn
mesh_terms: D000818:Animals; D001688:Biological Products / Q000737:chemistry*; D006575:Heterocyclic Compounds, 3-Ring / Q000737:chemistry* / Q000494:pharmacology; D006801:Humans; D015394:Molecular Structure; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods; D009831:Olfactory Mucosa / Q000187:drug effects / Q000473:pathology; D010300:Parkinson Disease / Q000175:diagnosis / Q000473:pathology; D011161:Porifera / Q000737:chemistry
chemical_list: D001688:Biological Products; D006575:Heterocyclic Compounds, 3-Ring; C000618774:iotrochotazine A
keywords: NMR fingerprints; NMR spectroscopy; Parkinson’s disease; natural products; total synthesis
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