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Quinn RA, Nothias LF, Vining O, et al. Molecular Networking As a Drug Discovery, Drug Metabolism, and Precision Medicine Strategy. Trends Pharmacol Sci. 2016;38(2):143-154doi: 10.1016/j.tips.2016.10.011.
Quinn, R. A., Nothias, L. F., Vining, O., Meehan, M., Esquenazi, E., & Dorrestein, P. C. (2017). Molecular Networking As a Drug Discovery, Drug Metabolism, and Precision Medicine Strategy. Trends in pharmacological sciences, 38(2), 143-154. https://doi.org/10.1016/j.tips.2016.10.011
Quinn, Robert A, et al. "Molecular Networking As a Drug Discovery, Drug Metabolism, and Precision Medicine Strategy." Trends in pharmacological sciences vol. 38,2 (2017): 143-154. doi: https://doi.org/10.1016/j.tips.2016.10.011
Quinn RA, Nothias LF, Vining O, Meehan M, Esquenazi E, Dorrestein PC. Molecular Networking As a Drug Discovery, Drug Metabolism, and Precision Medicine Strategy. Trends Pharmacol Sci. 2017 Feb;38(2):143-154. doi: 10.1016/j.tips.2016.10.011. Epub 2016 Nov 11. PMID: 27842887.
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Trends Pharmacol Sci. 2017 Feb;38(2):143-154. doi: 10.1016/j.tips.2016.10.011. Epub 2016 Nov 11.

Molecular Networking As a Drug Discovery, Drug Metabolism, and Precision Medicine Strategy.

Trends in pharmacological sciences

Robert A Quinn, Louis-Felix Nothias, Oliver Vining, Michael Meehan, Eduardo Esquenazi, Pieter C Dorrestein

Affiliations

  1. Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, CA, USA.
  2. Sirenas, San Diego, CA, USA.
  3. Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, CA, USA; Departments of Pharmacology and Pediatrics, University of California, San Diego, San Diego, CA, USA. Electronic address: [email protected].

PMID: 27842887 DOI: 10.1016/j.tips.2016.10.011

Abstract

Molecular networking is a tandem mass spectrometry (MS/MS) data organizational approach that has been recently introduced in the drug discovery, metabolomics, and medical fields. The chemistry of molecules dictates how they will be fragmented by MS/MS in the gas phase and, therefore, two related molecules are likely to display similar fragment ion spectra. Molecular networking organizes the MS/MS data as a relational spectral network thereby mapping the chemistry that was detected in an MS/MS-based metabolomics experiment. Although the wider utility of molecular networking is just beginning to be recognized, in this review we highlight the principles behind molecular networking and its use for the discovery of therapeutic leads, monitoring drug metabolism, clinical diagnostics, and emerging applications in precision medicine.

Copyright © 2016. Published by Elsevier Ltd.

Keywords: mass spectrometry; metabolomics; molecular networking

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