An Integrated Strategy of UHPLC-ESI-MS/MS Combined with Bioactivity-Based Molecular Networking for Identification of Antitumoral Withanolides from Athenaea fasciculata (Vell.) I.M.C. Rodrigues & Stehmann.
Autor: | Marques AM; Department of Natural Products, Pharmaceutical Technology Institute, Farmanguinhos, Fiocruz, Sizenando Nabuco 100 st, Manguinhos, Rio de Janeiro 21041-250, Brazil., Brito LC; Department of Natural Products, Pharmaceutical Technology Institute, Farmanguinhos, Fiocruz, Sizenando Nabuco 100 st, Manguinhos, Rio de Janeiro 21041-250, Brazil., Mendonça SC; Department of Natural Products and Food, Faculty of Pharmacy, Center of Health Sciences (CCS), Federal University of Rio de Janeiro, Rio de Janeiro 21941-902, Brazil., Gomes BA; Department of Natural Products and Food, Faculty of Pharmacy, Center of Health Sciences (CCS), Federal University of Rio de Janeiro, Rio de Janeiro 21941-902, Brazil., Camillo FDC; Department of Natural Products, Pharmaceutical Technology Institute, Farmanguinhos, Fiocruz, Sizenando Nabuco 100 st, Manguinhos, Rio de Janeiro 21041-250, Brazil., Silva GWSE; Laboratory of Molecular Pharmacology, Pharmaceutical Technology Institute, Farmanguinhos, Fiocruz, Avenida Brasil 4365, Manguinhos, Rio de Janeiro 21041-250, Brazil., Sampaio ALF; Laboratory of Molecular Pharmacology, Pharmaceutical Technology Institute, Farmanguinhos, Fiocruz, Avenida Brasil 4365, Manguinhos, Rio de Janeiro 21041-250, Brazil., Leitão SG; Department of Natural Products and Food, Faculty of Pharmacy, Center of Health Sciences (CCS), Federal University of Rio de Janeiro, Rio de Janeiro 21941-902, Brazil., Figueiredo MR; Department of Natural Products, Pharmaceutical Technology Institute, Farmanguinhos, Fiocruz, Sizenando Nabuco 100 st, Manguinhos, Rio de Janeiro 21041-250, Brazil. |
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Jazyk: | angličtina |
Zdroj: | Molecules (Basel, Switzerland) [Molecules] 2024 Sep 13; Vol. 29 (18). Date of Electronic Publication: 2024 Sep 13. |
DOI: | 10.3390/molecules29184357 |
Abstrakt: | Background: Athenaea fasciculata , a Brazilian native species from the Solanaceae family, is recognized as a promising source of bioactive withanolides, particularly Aurelianolide A and B, which exhibit significant antitumoral activities. Despite its potential, research on the chemical constituents of this species remains limited. This study aimed to dereplicate extracts and partitions of A. fasciculata to streamline the discovery of bioactive withanolides. Methods: Using ultra-high-performance liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS), various extracts-including n -hexane, methanol, and ethanol-were analyzed, and their mass spectrometry data were processed through the GNPS platform for the generation of molecular networking. The results indicated that crude extracts displayed comparable cytotoxicity against Jurkat cells, by treatment at 150 µg/mL, while alcoholic extracts achieved approximately 80% inhibition of K562 cells and K562-Lucena 1 at the same concentration. Notably, the dichloromethane partition exhibited the highest cytotoxicity across leukemia cell lines, particularly against Jurkat cells (IC Conclusions: This research underscores the therapeutic potential of A. fasciculata and highlights the effectiveness of integrating advanced analytical methods in drug discovery, paving the way for further exploration of its bioactive compounds. |
Databáze: | MEDLINE |
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