Natural products metabolomics
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Natural products metabolomics
Isolation, Elucidation, Metabolomics for natural products
Curated by Ahmed Tawfike
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Insights from the Experts Series - Novel Approaches in Metabolic Research - YouTube

Insights from the Experts Series - Novel Approaches in Metabolic Research - YouTube | Natural products metabolomics | Scoop.it
The focus of this edition of Insights from the Experts is on novel approaches in metabolomics research. The term "metabolomics" also referred to as metabonom...
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Current approaches and challenges for the metabolite profiling of complex natural extracts

“« Metabolite profiling is critical in many aspects of the life sciences, particularly natural product research. Obtaining precise information on the chemical composition of complex natural extracts (metabolomes) that are primarily obtained from plants or microorganisms is a challenging task that requires sophisticated, advanced analytical methods. In this respect, significant advances in hyphenated chromatographic techniques (LC-MS, GC-MS and LC-NMR in particular), as well as data mining and processing methods, have occurred over the last decade. Together, these tools, in combination with bioassay profiling methods, serve an important role in metabolomics for the purposes of both peak annotation and dereplication in natural product research. In this review, a survey of the techniques that are used for generic and comprehensive profiling of secondary metabolites in natural extracts is provided. The various approaches (chromatographic methods: LC-MS, GC-MS, and LC-NMR and direct spectroscopic methods: NMR and DIMS) are discussed with respect to their resolution and sensitivity for extract profiling. In addition the structural information that can be generated through these techniques or in combination, is compared in relation to the identification of metabolites in complex mixtures. Analytical strategies with applications to natural extracts and novel methods that have strong potential, regardless of how often they are used, are discussed with respect to their potential applications and future trends. » Current approaches and challenges for the metabolite profiling of complex natural extractsJean-Luc Wolfender, Guillaume Marti, Aurélien Thomas, Samuel BertrandDOI: 10.1016/j.chroma.2014.10.091 Journal of Chromatography AAvailable online 31 October 2014 ”
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Retention time prediction for dereplication of natural products (CxHyOz) in LC–MS metabolite profiling

“The detection and early identification of natural products (NPs) for dereplication purposes require efficient, high-resolution methods for the profiling of crude natural extracts. This task is difficult because of the high number of NPs in these complex biological matrices and because of their very high chemical diversity. Metabolite profiling using ultra-high pressure liquid chromatography coupled to high-resolution mass spectrometry (UHPLC–HR-MS) is very efficient for the separation of complex mixtures and provides molecular formula information as a first step in dereplication. This structural information alone or even combined with chemotaxonomic information is often not sufficient for unambiguous metabolite identification. In this study, a representative set of 260 NPs containing C, H, and O atoms only was analysed in generic UHPLC–HR-MS profiling conditions. Two easy to use quantitative structure retention relationship (QSRR) models were built based on the measured retention time and on eight simple physicochemical parameters calculated from the structures. First, an original approach using several partial least square (PLS) regressions according to the phytochemical classes provided satisfactory results with an easy calculation. Secondly, a unique artificial neural network (ANN) model provided similar results on the whole set of NPs but required dedicated software. The retention prediction methods described in this study were found to improve the level of confidence of the identification of given analytes among putative isomeric structures. Its applicability was verified for the dereplication of NPs in model plant extracts - Philippe J. Eugster, - Julien Boccard, - Benjamin Debrus, - Lise Bréant, - Jean-Luc Wolfender, , - Sophie Martel, - Pierre-Alain Carrupt PhytochemistryAvailable online 28 October 2014 ”
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Pyridone Alkaloids from a Marine-Derived Fungus, Stagonosporopsis cucurbitacearum, and Their Activities against Azole-Resistant Candida albicans

Pyridone Alkaloids from a Marine-Derived Fungus, Stagonosporopsis cucurbitacearum, and Their Activities against Azole-Resistant Candida albicans | Natural products metabolomics | Scoop.it

Four new 4-hydroxy-2-pyridone alkaloids, didymellamides A–D (1–4), were isolated from the marine-derived fungus Stagonosporopsis cucurbitacearum. The structures of 1–4 were elucidated from spectroscopic data (NMR, MS, and IR), and the absolute configuration of 1 was determined by X-ray diffraction analysis. Didymellamide A (1) exhibited antifungal activity against azole-resistant Candida albicans.

 

Asami Haga†, Hiroki Tamoto†, Masahiro Ishino†, Eriko Kimura†, Takashi Sugita‡, Kaoru Kinoshita†, Kunio Takahashi†, Motoo Shiro§, and Kiyotaka KoyamaJ. Nat. Prod., Article ASAPDOI: 10.1021/np300876tPublication Date (Web): March 15, 2013


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