Uncovering the Bioactive Potential of a Cyanobacterial Natural Products Library Aided by Untargeted Metabolomics

The Blue Biotechnology and Ecotoxicology Culture Collection (LEGE-CC) holds a vast number of cyanobacteria whose chemical richness is still largely unknown. To expedite its bioactivity screening we developed a natural products library. Sixty strains and four environmental samples were chromatographe...

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Autores principales:	Leonor Ferreira, João Morais, Marco Preto, Raquel Silva, Ralph Urbatzka, Vitor Vasconcelos, Mariana Reis
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	natural products library cyanobacteria cytotoxicity 3D spheroids untargeted metabolomics MetaboAnalyst Biology (General) QH301-705.5
Acceso en línea:	https://doaj.org/article/7bb6d77e420544109d44cc5b253900c5
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spelling	oai:doaj.org-article:7bb6d77e420544109d44cc5b253900c52021-11-25T18:12:57ZUncovering the Bioactive Potential of a Cyanobacterial Natural Products Library Aided by Untargeted Metabolomics10.3390/md191106331660-3397https://doaj.org/article/7bb6d77e420544109d44cc5b253900c52021-11-01T00:00:00Zhttps://www.mdpi.com/1660-3397/19/11/633https://doaj.org/toc/1660-3397The Blue Biotechnology and Ecotoxicology Culture Collection (LEGE-CC) holds a vast number of cyanobacteria whose chemical richness is still largely unknown. To expedite its bioactivity screening we developed a natural products library. Sixty strains and four environmental samples were chromatographed, using a semiautomatic HPLC system, yielding 512 fractions that were tested for their cytotoxic activity against 2D and 3D models of human colon carcinoma (HCT 116), and non-cancerous cell line hCMEC/D3. Six fractions showed high cytotoxicity against 2D and 3D cell models (group A), and six other fractions were selected by their effects on 3D cells (group B). The metabolome of each group was organized and characterized using the MolNetEnhancer workflow, and its processing with MetaboAnalyst allowed discrimination of the mass features with the highest fold change, and thus the ones that might be bioactive. Of those, mass features without precedented identification were mostly found in group A, indicating seven possible novel bioactive molecules, alongside in silico putative annotation of five cytotoxic compounds. Manual dereplication of group B tentatively identified nine pheophytin and pheophorbide derivatives. Our approach enabled the selection of 7 out of 60 cyanobacterial strains for anticancer drug discovery, providing new data concerning the chemical composition of these cyanobacteria.Leonor FerreiraJoão MoraisMarco PretoRaquel SilvaRalph UrbatzkaVitor VasconcelosMariana ReisMDPI AGarticlenatural products librarycyanobacteriacytotoxicity3D spheroidsuntargeted metabolomicsMetaboAnalystBiology (General)QH301-705.5ENMarine Drugs, Vol 19, Iss 633, p 633 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	natural products library cyanobacteria cytotoxicity 3D spheroids untargeted metabolomics MetaboAnalyst Biology (General) QH301-705.5
spellingShingle	natural products library cyanobacteria cytotoxicity 3D spheroids untargeted metabolomics MetaboAnalyst Biology (General) QH301-705.5 Leonor Ferreira João Morais Marco Preto Raquel Silva Ralph Urbatzka Vitor Vasconcelos Mariana Reis Uncovering the Bioactive Potential of a Cyanobacterial Natural Products Library Aided by Untargeted Metabolomics
description	The Blue Biotechnology and Ecotoxicology Culture Collection (LEGE-CC) holds a vast number of cyanobacteria whose chemical richness is still largely unknown. To expedite its bioactivity screening we developed a natural products library. Sixty strains and four environmental samples were chromatographed, using a semiautomatic HPLC system, yielding 512 fractions that were tested for their cytotoxic activity against 2D and 3D models of human colon carcinoma (HCT 116), and non-cancerous cell line hCMEC/D3. Six fractions showed high cytotoxicity against 2D and 3D cell models (group A), and six other fractions were selected by their effects on 3D cells (group B). The metabolome of each group was organized and characterized using the MolNetEnhancer workflow, and its processing with MetaboAnalyst allowed discrimination of the mass features with the highest fold change, and thus the ones that might be bioactive. Of those, mass features without precedented identification were mostly found in group A, indicating seven possible novel bioactive molecules, alongside in silico putative annotation of five cytotoxic compounds. Manual dereplication of group B tentatively identified nine pheophytin and pheophorbide derivatives. Our approach enabled the selection of 7 out of 60 cyanobacterial strains for anticancer drug discovery, providing new data concerning the chemical composition of these cyanobacteria.
format	article
author	Leonor Ferreira João Morais Marco Preto Raquel Silva Ralph Urbatzka Vitor Vasconcelos Mariana Reis
author_facet	Leonor Ferreira João Morais Marco Preto Raquel Silva Ralph Urbatzka Vitor Vasconcelos Mariana Reis
author_sort	Leonor Ferreira
title	Uncovering the Bioactive Potential of a Cyanobacterial Natural Products Library Aided by Untargeted Metabolomics
title_short	Uncovering the Bioactive Potential of a Cyanobacterial Natural Products Library Aided by Untargeted Metabolomics
title_full	Uncovering the Bioactive Potential of a Cyanobacterial Natural Products Library Aided by Untargeted Metabolomics
title_fullStr	Uncovering the Bioactive Potential of a Cyanobacterial Natural Products Library Aided by Untargeted Metabolomics
title_full_unstemmed	Uncovering the Bioactive Potential of a Cyanobacterial Natural Products Library Aided by Untargeted Metabolomics
title_sort	uncovering the bioactive potential of a cyanobacterial natural products library aided by untargeted metabolomics
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/7bb6d77e420544109d44cc5b253900c5
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Uncovering the Bioactive Potential of a Cyanobacterial Natural Products Library Aided by Untargeted Metabolomics

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