Journal
PHYTOCHEMISTRY
Volume 108, Issue -, Pages 208-219Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.phytochem.2014.10.007
Keywords
Laurencia; Laurencia chondrioides; Rhodomelaceae; Dereplication; UHPLC-PDA-HRMS; 2D HSQC NMR; 'in-house' Laurencia-focused NMR database; C-15 bromoallene acetogenins; Marilzallene B; Chondrioallene
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Funding
- SysTerp [GSRT-EPANII-09EYN-23-879]
- European Social Fund (ESF)
- National Resources [EU FP7 REGPOT2009-1]
- ARCADE [245866]
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The global metabolic profile of Laurencia crude red algal extracts was addressed by applying highthroughput analytical techniques, namely UHPLC-PDA-HRMS and 2D HSQC NMR. An integrated platform including software tools and databases, such as Xcalibur, ToxID, ACD/Labs and MarinLit, has been developed to mine the complex analytical data towards the accelerated identification of known metabolites and the detection of new natural products at the early stages of phytochemical analysis. In parallel, a searchable 'in-house' Laurencia-focused NMR database incorporating chemical structures, NMR spectroscopic data and reported biological activities has been generated. The screening strategy has been developed as a tool to prioritize the crude extracts to be further subjected to phytochemical analysis by tracing the presence of new natural products among the pool of known compounds. The successful application of this integrated methodology in the crude extract of Laurencia chondrioides led to the rapid detection of two new C-15 bromoallene acetogenins (1 and 2), which were subsequently isolated and characterized. (c) 2014 Elsevier Ltd. All rights reserved.
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