Turning Metabolomics into Drug Discovery

Metabolomics is the "omics" that studies the whole metabolome. It has a wide range of applications, inter alia chemotaxonomy, environmental influences, agriculture, etc. Here we review the application of metabolomics in natural product research. The importance of physicochemical properties to drug delivery are discussed in relation to turning metabolomic studies towards drug discovery. We believe that coupling metabolomic studies with standards of known physicochemical properties in order to calibrate the chromatographic columns can be beneficial in identifying compounds of candidate drug quality.

Keywords:
natural products; HPLC; retention time; log P; druggability

Authorship

Asmaa Boufridi

Eskitis Institute for Drug Discovery, Griffith University, QLD 4111 Brisbane, AustraliaGriffith UniversityAustraliaBrisbane, AustraliaEskitis Institute for Drug Discovery, Griffith University, QLD 4111 Brisbane, Australia

Asmaa Boufridi is a natural product chemist. She obtained her Master's degree from the University of Blida in Algeria in 2011, and her PhD in marine natural products from the University Paris-Sud in France in 2014. Asmaa joined the Eskitis Institute, Griffith University, in 2015 as a research fellow with Prof Ron Quinn. Her research focuses on the isolation and structural elucidation of novel and active compounds from plants and marine organisms using NMR metabolomics.

Ronald J. Quinn ^**e-mail: r.quinn@griffith.edu.au

Ronald Quinn obtained his PhD in Chemistry from the University of New South Wales, Australia in 1970. He joined Griffith University in 1982 and is Professor and Director of the Eskitis Institute for Drug Discovery. His research concentrates on the use of molecules as probes to understand interactions in biological systems, conducting research on bioactive natural products and bioaffinity mass spectrometry to identify protein-ligand complexes. He is a Member of the Order of Australia (AM) for service to scientific research, in the field of chemistry and a Fellow of the Australian Academy of Technological Sciences and Engineering.

*e-mail: r.quinn@griffith.edu.au

Asmaa Boufridi is a natural product chemist. She obtained her Master's degree from the University of Blida in Algeria in 2011, and her PhD in marine natural products from the University Paris-Sud in France in 2014. Asmaa joined the Eskitis Institute, Griffith University, in 2015 as a research fellow with Prof Ron Quinn. Her research focuses on the isolation and structural elucidation of novel and active compounds from plants and marine organisms using NMR metabolomics.

Ronald Quinn obtained his PhD in Chemistry from the University of New South Wales, Australia in 1970. He joined Griffith University in 1982 and is Professor and Director of the Eskitis Institute for Drug Discovery. His research concentrates on the use of molecules as probes to understand interactions in biological systems, conducting research on bioactive natural products and bioaffinity mass spectrometry to identify protein-ligand complexes. He is a Member of the Order of Australia (AM) for service to scientific research, in the field of chemistry and a Fellow of the Australian Academy of Technological Sciences and Engineering.

SCIMAGO INSTITUTIONS RANKINGS

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Figure 1
Scheme representing the distribution of drugs (green), low-drug attrition (orange),³¹31 Pascolutti, M.; Quinn, R. J.; Drug Discovery Today 2014, 19, 215. molecular mass (Da) (grey columns),²⁸28 Waring, M. J.; Arrowsmith, J.; Leach, A. R.; Leeson, P. D.; Mandrell, S.; Owen, R. M.; Pairaudeau, G.; Pennie, W. D.; Pickett, S. D.; Wang, J.; Wallace, O.; Weir, A.; Nat. Rev. Drug Discovery 2015, 14, 475. calculated log P (grey bars)²⁸28 Waring, M. J.; Arrowsmith, J.; Leach, A. R.; Leeson, P. D.; Mandrell, S.; Owen, R. M.; Pairaudeau, G.; Pennie, W. D.; Pickett, S. D.; Wang, J.; Wallace, O.; Weir, A.; Nat. Rev. Drug Discovery 2015, 14, 475. and retention time (t_R)³²32 Camp, D.; Davis, R. A.; Campitelli, M.; Ebdon, J.; Quinn, R. J.; J. Nat. Prod. 2012, 75, 72. in metabolome space.

Figure 1 Scheme representing the distribution of drugs (green), low-drug attrition (orange),³¹31 Pascolutti, M.; Quinn, R. J.; Drug Discovery Today 2014, 19, 215. molecular mass (Da) (grey columns),²⁸28 Waring, M. J.; Arrowsmith, J.; Leach, A. R.; Leeson, P. D.; Mandrell, S.; Owen, R. M.; Pairaudeau, G.; Pennie, W. D.; Pickett, S. D.; Wang, J.; Wallace, O.; Weir, A.; Nat. Rev. Drug Discovery 2015, 14, 475. calculated log P (grey bars)²⁸28 Waring, M. J.; Arrowsmith, J.; Leach, A. R.; Leeson, P. D.; Mandrell, S.; Owen, R. M.; Pairaudeau, G.; Pennie, W. D.; Pickett, S. D.; Wang, J.; Wallace, O.; Weir, A.; Nat. Rev. Drug Discovery 2015, 14, 475. and retention time (t_R)³²32 Camp, D.; Davis, R. A.; Campitelli, M.; Ebdon, J.; Quinn, R. J.; J. Nat. Prod. 2012, 75, 72. in metabolome space.

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[1] *e-mail: r.quinn@griffith.edu.au