Molecular networking as a dereplication strategy for monitoring metabolites of natural product treated cancer cells.
Journal
Rapid communications in mass spectrometry : RCM
ISSN: 1097-0231
Titre abrégé: Rapid Commun Mass Spectrom
Pays: England
ID NLM: 8802365
Informations de publication
Date de publication:
Apr 2020
Apr 2020
Historique:
received:
18
04
2019
revised:
16
07
2019
accepted:
06
08
2019
pubmed:
15
8
2019
medline:
5
1
2021
entrez:
15
8
2019
Statut:
ppublish
Résumé
Natural products have been great sources for drug discovery. However, the structures of natural products are diverse and difficult to elucidate. Cordyceps militaris is a parasitic fungus which usually grows on host insects. The metabolites of C. militaris have been reported to act as chemotherapeutic agents. In this study, we aimed for the structural elucidation of specialized metabolites derived from C. militaris, and the metabolic impact in leukemia cells. We describe a liquid chromatography data-dependent mass spectrometric platform combining tandem mass analysis and molecular networking. Leukemia cells treated with C. militaris extract and control groups were visualized in terms of their metabolic profiles using Global Natural Product Social (GNPS) molecular networking. By this method, we were able to elucidate the structures of metabolites from medicinal fungus extracts and cancer cells and then to recognize their changes in a semi-quantitative manner. Using C. militaris and leukemia cells as examples, we found that approximately 100 new ion species were present in the treated leukemia cells, suggesting a highly altered metabolic profile. Specifically, based on the tandem mass spectral similarity, we proposed that cordycepin, a key fungus-derived therapeutic agent known for its antitumor activity, was transformed into its methylthio form in leukemia cells. The platform described provides an ability to investigate complex molecular interactions of natural products in mammalian cells. By incorporating tandem mass spectrometry and molecular networking, we were able to reveal the chemical modification of crude bioactive compounds, for example potential bioactive compounds which might be modified from cordycepin. We envision that such a mass spectrometry (MS)-based workflow, combined with other metabolomics platforms, would enable much wider applicability to cell biology and be of great potential to pharmacological study as well as drug discovery.
Substances chimiques
Antineoplastic Agents
0
Biological Products
0
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
e8549Subventions
Organisme : Center for Emerging Materials and Advanced Devices, National Taiwan University
ID : NTU-ERP-106R880211
Organisme : Ministry of Science and Technology (MOST) of ROC
ID : 107-2321-B-002-045 (TLS lab)
Organisme : Ministry of Science and Technology (MOST) of ROC
ID : 106-3114-B-002-005
Organisme : Ministry of Science and Technology (MOST) of ROC
ID : 108-2636-M-002-008- (CCH lab)
Organisme : Ministry of Science and Technology (MOST) of ROC
ID : 107-2321-B-001-038-
Organisme : Ministry of Science and Technology (MOST) of ROC
ID : 106-2113-M-002-013-MY2
Informations de copyright
© 2019 John Wiley & Sons, Ltd.
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