Metabolomic Profiling, Antioxidant and Enzyme Inhibition Properties and Molecular Docking Analysis of Antarctic Lichens
The lichen species Lecania brialmontii, Pseudephebe pubescens, and Sphaerophorus globosus are part of the prominent lichenoflora of the Antarctic territory. In this work, we report the metabolomic identification of ethanolic extracts of these species, their antioxidant and cholinesterase enzyme inhi...
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ftmdpi:oai:mdpi.com:/1420-3049/27/22/8086/ 2023-08-20T04:02:25+02:00 Metabolomic Profiling, Antioxidant and Enzyme Inhibition Properties and Molecular Docking Analysis of Antarctic Lichens Alfredo Torres-Benítez José Erick Ortega-Valencia Marta Sanchez Pradeep Kumar Divakar Mario J. Simirgiotis María Pilar Gómez-Serranillos agris 2022-11-21 application/pdf https://doi.org/10.3390/molecules27228086 EN eng Multidisciplinary Digital Publishing Institute Natural Products Chemistry https://dx.doi.org/10.3390/molecules27228086 https://creativecommons.org/licenses/by/4.0/ Molecules; Volume 27; Issue 22; Pages: 8086 Lecania Pseudephebe Sphaerophorus bioactive compounds antioxidant enzyme inhibition Antarctica neuroprotective potential Text 2022 ftmdpi https://doi.org/10.3390/molecules27228086 2023-08-01T07:26:15Z The lichen species Lecania brialmontii, Pseudephebe pubescens, and Sphaerophorus globosus are part of the prominent lichenoflora of the Antarctic territory. In this work, we report the metabolomic identification of ethanolic extracts of these species, their antioxidant and cholinesterase enzyme inhibitory activity, and conduct a molecular docking analysis with typical compounds. Eighteen compounds were identified by UHPLC-ESI-QTOF-MS in L. brialmontii, 18 compounds in P. pubescens, and 14 compounds in S. globosus. The content of phenolic compounds was variable among the species, ranging from 0.279 to 2.821 mg AG/g, and all three species showed high inhibition potential on the cholinesterase enzymes. Molecular docking showed important interactions between AChE and BChE with the selected compounds. This study evidences the chemical fingerprint of three species of the order Lecanorales that support the continuation of the study of other biological activities and their potential for medical research. Text Antarc* Antarctic Antarctica MDPI Open Access Publishing Antarctic The Antarctic Molecules 27 22 8086 |
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Open Polar |
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MDPI Open Access Publishing |
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ftmdpi |
language |
English |
topic |
Lecania Pseudephebe Sphaerophorus bioactive compounds antioxidant enzyme inhibition Antarctica neuroprotective potential |
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Lecania Pseudephebe Sphaerophorus bioactive compounds antioxidant enzyme inhibition Antarctica neuroprotective potential Alfredo Torres-Benítez José Erick Ortega-Valencia Marta Sanchez Pradeep Kumar Divakar Mario J. Simirgiotis María Pilar Gómez-Serranillos Metabolomic Profiling, Antioxidant and Enzyme Inhibition Properties and Molecular Docking Analysis of Antarctic Lichens |
topic_facet |
Lecania Pseudephebe Sphaerophorus bioactive compounds antioxidant enzyme inhibition Antarctica neuroprotective potential |
description |
The lichen species Lecania brialmontii, Pseudephebe pubescens, and Sphaerophorus globosus are part of the prominent lichenoflora of the Antarctic territory. In this work, we report the metabolomic identification of ethanolic extracts of these species, their antioxidant and cholinesterase enzyme inhibitory activity, and conduct a molecular docking analysis with typical compounds. Eighteen compounds were identified by UHPLC-ESI-QTOF-MS in L. brialmontii, 18 compounds in P. pubescens, and 14 compounds in S. globosus. The content of phenolic compounds was variable among the species, ranging from 0.279 to 2.821 mg AG/g, and all three species showed high inhibition potential on the cholinesterase enzymes. Molecular docking showed important interactions between AChE and BChE with the selected compounds. This study evidences the chemical fingerprint of three species of the order Lecanorales that support the continuation of the study of other biological activities and their potential for medical research. |
format |
Text |
author |
Alfredo Torres-Benítez José Erick Ortega-Valencia Marta Sanchez Pradeep Kumar Divakar Mario J. Simirgiotis María Pilar Gómez-Serranillos |
author_facet |
Alfredo Torres-Benítez José Erick Ortega-Valencia Marta Sanchez Pradeep Kumar Divakar Mario J. Simirgiotis María Pilar Gómez-Serranillos |
author_sort |
Alfredo Torres-Benítez |
title |
Metabolomic Profiling, Antioxidant and Enzyme Inhibition Properties and Molecular Docking Analysis of Antarctic Lichens |
title_short |
Metabolomic Profiling, Antioxidant and Enzyme Inhibition Properties and Molecular Docking Analysis of Antarctic Lichens |
title_full |
Metabolomic Profiling, Antioxidant and Enzyme Inhibition Properties and Molecular Docking Analysis of Antarctic Lichens |
title_fullStr |
Metabolomic Profiling, Antioxidant and Enzyme Inhibition Properties and Molecular Docking Analysis of Antarctic Lichens |
title_full_unstemmed |
Metabolomic Profiling, Antioxidant and Enzyme Inhibition Properties and Molecular Docking Analysis of Antarctic Lichens |
title_sort |
metabolomic profiling, antioxidant and enzyme inhibition properties and molecular docking analysis of antarctic lichens |
publisher |
Multidisciplinary Digital Publishing Institute |
publishDate |
2022 |
url |
https://doi.org/10.3390/molecules27228086 |
op_coverage |
agris |
geographic |
Antarctic The Antarctic |
geographic_facet |
Antarctic The Antarctic |
genre |
Antarc* Antarctic Antarctica |
genre_facet |
Antarc* Antarctic Antarctica |
op_source |
Molecules; Volume 27; Issue 22; Pages: 8086 |
op_relation |
Natural Products Chemistry https://dx.doi.org/10.3390/molecules27228086 |
op_rights |
https://creativecommons.org/licenses/by/4.0/ |
op_doi |
https://doi.org/10.3390/molecules27228086 |
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Molecules |
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27 |
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22 |
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8086 |
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1774712851154337792 |