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Metabolomic study of soft corals from the Colombian Caribbean: PSYCHE and (1)H-NMR comparative analysis

Marine organisms have evolved to survive against predators in complex marine ecosystems via the production of chemical compounds. Soft corals (Cnidaria, Anthozoa, Octocorallia) are an important source of chemically diverse metabolites with a broad spectrum of biological activities. Herein, we perfor...

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Autores principales: Santacruz, Liliana, Hurtado, Diana X., Doohan, Roisin, Thomas, Olivier P., Puyana, Mónica, Tello, Edisson
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7096504/
https://www.ncbi.nlm.nih.gov/pubmed/32214197
http://dx.doi.org/10.1038/s41598-020-62413-0
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author Santacruz, Liliana
Hurtado, Diana X.
Doohan, Roisin
Thomas, Olivier P.
Puyana, Mónica
Tello, Edisson
author_facet Santacruz, Liliana
Hurtado, Diana X.
Doohan, Roisin
Thomas, Olivier P.
Puyana, Mónica
Tello, Edisson
author_sort Santacruz, Liliana
collection PubMed
description Marine organisms have evolved to survive against predators in complex marine ecosystems via the production of chemical compounds. Soft corals (Cnidaria, Anthozoa, Octocorallia) are an important source of chemically diverse metabolites with a broad spectrum of biological activities. Herein, we perform a comparative study between high-resolution proton nuclear magnetic resonance ((1)H-NMR) and pure shift yielded by chirp excitation (PSYCHE) experiments to analyze the metabolic profile of 24 soft corals from the Colombian Caribbean to correlate chemical fingerprints with their cytotoxic activity against three cancer cell lines (human cervical carcinoma (SiHa), human prostatic carcinoma (PC3) and human lung adenocarcinoma (A549)). All data obtained were explored using multivariate analysis using principal components analysis (PCA) and orthogonal partial least squares (OPLS) analysis. The results did not show a significant correlation between clusters using (1)H-NMR data in the PCA and OPLS-DA models and therefore did not provide conclusive evidence; on the other hand, a metabolomic analysis of PSYCHE data obtained under the same parameters revealed that when a decoupled experiment is performed, it was possible to establish a statistically valid correlation between the chemical composition of soft corals and their cytotoxic activity against the PC3 cancer cell line, where the asperdiol and plexaurolone markers were putatively identified and related to the cytotoxic activity presented by extracts of Plexaurella sp. and Plexaura kukenthali, respectively. These results increase the speed, effectiveness and reliability of analyses for the study of this type of complex matrices.
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spelling pubmed-70965042020-03-30 Metabolomic study of soft corals from the Colombian Caribbean: PSYCHE and (1)H-NMR comparative analysis Santacruz, Liliana Hurtado, Diana X. Doohan, Roisin Thomas, Olivier P. Puyana, Mónica Tello, Edisson Sci Rep Article Marine organisms have evolved to survive against predators in complex marine ecosystems via the production of chemical compounds. Soft corals (Cnidaria, Anthozoa, Octocorallia) are an important source of chemically diverse metabolites with a broad spectrum of biological activities. Herein, we perform a comparative study between high-resolution proton nuclear magnetic resonance ((1)H-NMR) and pure shift yielded by chirp excitation (PSYCHE) experiments to analyze the metabolic profile of 24 soft corals from the Colombian Caribbean to correlate chemical fingerprints with their cytotoxic activity against three cancer cell lines (human cervical carcinoma (SiHa), human prostatic carcinoma (PC3) and human lung adenocarcinoma (A549)). All data obtained were explored using multivariate analysis using principal components analysis (PCA) and orthogonal partial least squares (OPLS) analysis. The results did not show a significant correlation between clusters using (1)H-NMR data in the PCA and OPLS-DA models and therefore did not provide conclusive evidence; on the other hand, a metabolomic analysis of PSYCHE data obtained under the same parameters revealed that when a decoupled experiment is performed, it was possible to establish a statistically valid correlation between the chemical composition of soft corals and their cytotoxic activity against the PC3 cancer cell line, where the asperdiol and plexaurolone markers were putatively identified and related to the cytotoxic activity presented by extracts of Plexaurella sp. and Plexaura kukenthali, respectively. These results increase the speed, effectiveness and reliability of analyses for the study of this type of complex matrices. Nature Publishing Group UK 2020-03-25 /pmc/articles/PMC7096504/ /pubmed/32214197 http://dx.doi.org/10.1038/s41598-020-62413-0 Text en © The Author(s) 2020 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Santacruz, Liliana
Hurtado, Diana X.
Doohan, Roisin
Thomas, Olivier P.
Puyana, Mónica
Tello, Edisson
Metabolomic study of soft corals from the Colombian Caribbean: PSYCHE and (1)H-NMR comparative analysis
title Metabolomic study of soft corals from the Colombian Caribbean: PSYCHE and (1)H-NMR comparative analysis
title_full Metabolomic study of soft corals from the Colombian Caribbean: PSYCHE and (1)H-NMR comparative analysis
title_fullStr Metabolomic study of soft corals from the Colombian Caribbean: PSYCHE and (1)H-NMR comparative analysis
title_full_unstemmed Metabolomic study of soft corals from the Colombian Caribbean: PSYCHE and (1)H-NMR comparative analysis
title_short Metabolomic study of soft corals from the Colombian Caribbean: PSYCHE and (1)H-NMR comparative analysis
title_sort metabolomic study of soft corals from the colombian caribbean: psyche and (1)h-nmr comparative analysis
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7096504/
https://www.ncbi.nlm.nih.gov/pubmed/32214197
http://dx.doi.org/10.1038/s41598-020-62413-0
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