ArticleJournal of natural products2014
UPLC-MS-ELSD-PDA as a powerful dereplication tool to facilitate compound identification from small-molecule natural product libraries.
Article in Journal of natural products, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
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Who cites it
12 citing papers in PubMed, 43 citations in OpenAlex.
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- Chemometrics-Assisted Identification of Anti-Inflammatory Compounds from the Green AlgaMolecules (Basel, Switzerland) · 2020Article
- In Vitro Interactions of Moroccan Propolis Phytochemical's on Human Tumor Cell Lines and Anti-Inflammatory Properties.Biomolecules · 2019Article
- Using UHPLC-MS Profiling for the Discovery of New Dihydro-β-Agarofurans from Australian Celastraceae Plant Extracts.Molecules (Basel, Switzerland) · 2019Article
- Old age-associated phenotypic screening for Alzheimer's disease drug candidates identifies sterubin as a potent neuroprotective compound from Yerba santa.Redox biology · 2019Article
- Ventromorphins: A New Class of Small Molecule Activators of the Canonical BMP Signaling Pathway.ACS chemical biology · 2017Article
- Article
- Diversity-oriented natural product platform identifies plant constituents targeting Plasmodium falciparum.Malaria journal · 2016Article
- Ethnomedicinal, Phytochemical and Pharmacological Profile of Anthriscus sylvestris as an Alternative Source for Anticancer Lignans.Molecules (Basel, Switzerland) · 2015Review
- Dereplication of known nucleobase and nucleoside compounds in natural product extracts by capillary electrophoresis-high resolution mass spectrometry.Molecules (Basel, Switzerland) · 2015Article
- The importance of mass spectrometric dereplication in fungal secondary metabolite analysis.Frontiers in microbiology · 2015Review
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Authors and funding
17 authors at 2 institutions in 2 countries.
Funding
Abstract
The generation of natural product libraries containing column fractions, each with only a few small molecules, using a high-throughput, automated fractionation system, has made it possible to implement an improved dereplication strategy for selection and prioritization of leads in a natural product discovery program. Analysis of databased UPLC-MS-ELSD-PDA information of three leads from a biological screen employing the ependymoma cell line EphB2-EPD generated details on the possible structures of active compounds present. The procedure allows the rapid identification of known compounds and guides the isolation of unknown compounds of interest. Three previously known flavanone-type compounds, homoeriodictyol (1), hesperetin (2), and sterubin (3), were identified in a selected fraction derived from the leaves of Eriodictyon angustifolium. The lignan compound deoxypodophyllotoxin (8) was confirmed to be an active constituent in two lead fractions derived from the bark and leaves of Thuja occidentalis. In addition, two new but inactive labdane-type diterpenoids with an uncommon triol side chain were also identified as coexisting with deoxypodophyllotoxin in a lead fraction from the bark of T. occidentalis. Both diterpenoids were isolated in acetylated form, and their structures were determined as 14S,15-diacetoxy-13R-hydroxylabd-8(17)-en-19-oic acid (9) and 14R,15-diacetoxy-13S-hydroxylabd-8(17)-en-19-oic acid (10), respectively, by spectroscopic data interpretation and X-ray crystallography. This work demonstrates that a UPLC-MS-ELSD-PDA database produced during fractionation may be used as a powerful dereplication tool to facilitate compound identification from chromatographically tractable small-molecule natural product libraries.
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