Exposome-Scale Investigations Guided by Global Metabolomics, Pathway Analysis, and Cognitive Computing
| Autor: | Brian Hilmers, J. Rafael Montenegro-Burke, Duane Rinehart, Mingliang Fang, Scott Spangler, Antony J. Williams, Gary Siuzdak, Susan D. Richardson, Winnie Uritboonthai, Erica M. Forsberg, Aries E. Aisporna, Caroline H. Johnson, H. Paul Benton, Ana Granados, Linh Hoang, Tao Huan, Benedikt Warth, Richard L. Martin, Xavier Domingo-Almenara |
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| Rok vydání: | 2017 |
| Předmět: |
0301 basic medicine
Male Exposome Chemistry Scale (chemistry) 010401 analytical chemistry Cognitive computing Computational biology Genomics Pathway analysis 01 natural sciences 0104 chemical sciences Analytical Chemistry 03 medical and health sciences 030104 developmental biology Metabolomics Artificial Intelligence Environmental chemistry Databases Genetic Humans METLIN Exposure assessment |
| Zdroj: | Analytical chemistry. 89(21) |
| ISSN: | 1520-6882 |
| Popis: | Concurrent exposure to a wide variety of xenobiotics and their combined toxic effects can play a pivotal role in health and disease, yet are largely unexplored. Investigating the totality of these exposures, i.e., the "exposome", and their specific biological effects constitutes a new paradigm for environmental health but still lacks high-throughput, user-friendly technology. We demonstrate the utility of mass spectrometry-based global exposure metabolomics combined with tailored database queries and cognitive computing for comprehensive exposure assessment and the straightforward elucidation of biological effects. The METLIN Exposome database has been redesigned to help identify environmental toxicants, food contaminants and supplements, drugs, and antibiotics as well as their biotransformation products, through its expansion with over 700 000 chemical structures to now include more than 950 000 unique small molecules. More importantly, we demonstrate how the XCMS/METLIN platform now allows for the readout of the biological effect of a toxicant through metabolomic-derived pathway analysis, and further, artificial intelligence provides a means of assessing the role of a potential toxicant. The presented workflow addresses many of the methodological challenges current exposomics research is facing and will serve to gain a deeper understanding of the impact of environmental exposures and combinatory toxic effects on human health. |
| Databáze: | OpenAIRE |
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