Evidence map›Paper›PMID 35020372›Full record

ArticleJournal of natural products2022

Dereplication of Fungal Metabolites by NMR-Based Compound Networking Using MADByTE.

Laura Flores-Bocanegra, Zeinab Y Al Subeh, Joseph M Egan, Tamam El-Elimat, Huzefa A Raja, Joanna E Burdette, Cedric J Pearce, Roger G Linington, Nicholas H Oberlies

Abstract read
In one paragraph

Article in Journal of natural products, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.

0numbers the graph read from it
0cells of the map it votes in
13citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

13 citing papers in PubMed.

  1. The perspective of artificial intelligence for NMR.Magnetic resonance letters · 2027
    Review
  2. Article
  3. Review
  4. Article
  5. Primed for Discovery.Biochemistry · 2024
    Review
  6. Review
  7. Article
  8. Article
  9. Review
  10. Discovering New Natural Products Using Metabolomics-Based Approaches.Advances in experimental medicine and biology · 2023
    Article
  11. Problems, principles and progress in computational annotation of NMR metabolomics data.Metabolomics : Official journal of the Metabolomic Society · 2022
    Review
  12. Review
  13. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

9 authors.

Laura Flores-BocanegraDepartment of Chemistry and Biochemistry, University of North Carolina at Greensboro, Greensboro, North Carolina 27412, United States.ORCID 0000-0002-1393-7834
Zeinab Y Al SubehDepartment of Chemistry and Biochemistry, University of North Carolina at Greensboro, Greensboro, North Carolina 27412, United States.ORCID 0000-0001-9051-4969
Joseph M EganDepartment of Chemistry, Simon Fraser University, Burnaby, British Columbia V5A 1S6, Canada.
Tamam El-ElimatDepartment of Medicinal Chemistry and Pharmacognosy, Faculty of Pharmacy, Jordan University of Science and Technology, Irbid 22110, Jordan.ORCID 0000-0002-9246-4974
Huzefa A RajaDepartment of Chemistry and Biochemistry, University of North Carolina at Greensboro, Greensboro, North Carolina 27412, United States.ORCID 0000-0002-0824-9463
Joanna E BurdetteDepartment of Pharmaceutical Sciences, University of Illinois at Chicago, Chicago, Illinois 60612, United States.ORCID 0000-0002-7271-6847
Cedric J PearceMycosynthetix, Inc., Hillsborough, North Carolina 27278, United States.
Roger G LiningtonDepartment of Chemistry, Simon Fraser University, Burnaby, British Columbia V5A 1S6, Canada.ORCID 0000-0003-1818-4971
Nicholas H OberliesDepartment of Chemistry and Biochemistry, University of North Carolina at Greensboro, Greensboro, North Carolina 27412, United States.ORCID 0000-0002-0354-8464

Funding

Project 3:Isolation Chemistry of Filamentous Fungi and Biological EvaluationP01CA125066 · NCI · OHIO STATE UNIVERSITY · PI JAMES R FUCHS · 2007 to 2026
$27.2M
Urgent Covid-19 Revision to the Center for High-Throughput Functional Annotation of Natural ProductsU41AT008718 · NCCIH · UT SOUTHWESTERN MEDICAL CENTER · PI CECH, NADJA B, LININGTON, ROGER G · 2015 to 2024
$10.1M
TAK1 Inhibition by (5Z)-7-Oxozeaenol Analogues for Anticancer LeadsR15CA246491 · NCI · UNIVERSITY OF NORTH CAROLINA GREENSBORO · PI CROATT, MITCHELL PETER · 2020 to 2020
$405k
An Untargeted NMR Metabolomics Platform for Functional Annotation of Natural Product Extracts.F31AT010098 · NCCIH · SIMON FRASER UNIVERSITY · PI EGAN, JOSEPH MICHAEL · 2018 to 2020
$93k
NCCIH NIH HHS F31 AT010098NCCIH NIH HHS U41 AT008718NCI NIH HHS P01 CA125066NCI NIH HHS R15 CA246491
6 · The paper itself

Abstract

Strategies for natural product dereplication are continually evolving, essentially in lock step with advances in MS and NMR techniques. MADByTE is a new platform designed to identify common structural features between samples in complex extract libraries using two-dimensional NMR spectra. This study evaluated the performance of MADByTE for compound dereplication by examining two classes of fungal metabolites, the resorcylic acid lactones (RALs) and spirobisnaphthalenes. First, a pure compound database was created using the HSQC and TOCSY data from 19 RALs and 10 spirobisnaphthalenes. Second, this database was used to assess the accuracy of compound class clustering through the generation of a spin system feature network. Seven fungal extracts were dereplicated using this approach, leading to the correct prediction of members of both families from the extract set. Finally, NMR-guided isolation led to the discovery of three new palmarumycins (

Indexed as

Biological ProductsComplex MixturesDatabases, FactualHumansMagnetic Resonance ImagingMagnetic Resonance SpectroscopyBiological ProductsComplex Mixtures

Identifiers

PMID35020372
PMCPMC8957573

What OpenQuestion holds

Textmetadata
LicenceCC BY-NC-ND
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.