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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??M was not cytotoxic but specifically affected the morphology and cellular distribution of lysosomes and early endosomes.

SUBMITTER: Grkovic T

PROVIDER: S-EPMC4298794 | biostudies-literature | 2014 Jun

REPOSITORIES: biostudies-literature

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NMR fingerprints of the drug-like natural-product space identify iotrochotazine A: a chemical probe to study Parkinson's disease.

Grkovic Tanja T Pouwer Rebecca H RH Vial Marie-Laure ML Gambini Luca L Noël Alba A Hooper John N A JN Wood Stephen A SA Mellick George D GD Quinn Ronald J RJ

Angewandte Chemie (International ed. in English) 20140415 24

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 ...[more]

PMID: 24737726

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