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Wiley, Angewandte Chemie International Edition, 24(53), p. 6070-6074, 2014

DOI: 10.1002/anie.201402239

Wiley, Angewandte Chemie, 24(126), p. 6184-6188, 2014

DOI: 10.1002/ange.201402239

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NMR Fingerprints of the Drug-like Natural-Product Space Identify Iotrochotazine A: A Chemical Probe to Study Parkinson’s Disease

Journal article published in 2014 by Tanja Grkovic, Rebecca H. Pouwer, Marie‐Laure Vial, Luca Gambini, Alba Noël, John N. A. Hooper, Stephen A. Wood ORCID, George D. Mellick, Ronald J. Quinn
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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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.