Molecular Networking As a Drug Discovery, Drug Metabolism, and Precision Medicine Strategy
| Autor: | Oliver B. Vining, Eduardo Esquenazi, Michael J. Meehan, Robert A. Quinn, Louis-Félix Nothias, Pieter C. Dorrestein |
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| Rok vydání: | 2017 |
| Předmět: |
0301 basic medicine
Pharmacology Chemistry Drug discovery 010401 analytical chemistry Computational biology Toxicology Bioinformatics Precision medicine 01 natural sciences 0104 chemical sciences Gas phase 03 medical and health sciences 030104 developmental biology Metabolomics Pharmaceutical Preparations Tandem Mass Spectrometry Drug Discovery Molecular networking Humans Precision Medicine |
| Zdroj: | Trends in Pharmacological Sciences. 38:143-154 |
| ISSN: | 0165-6147 |
| DOI: | 10.1016/j.tips.2016.10.011 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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