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 in...
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ftdoajarticles:oai:doaj.org/article:2f8d108a89e648c188b940d8f0e795a3 2023-05-15T13:59:13+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 2022-11-01T00:00:00Z https://doi.org/10.3390/molecules27228086 https://doaj.org/article/2f8d108a89e648c188b940d8f0e795a3 EN eng MDPI AG https://www.mdpi.com/1420-3049/27/22/8086 https://doaj.org/toc/1420-3049 doi:10.3390/molecules27228086 1420-3049 https://doaj.org/article/2f8d108a89e648c188b940d8f0e795a3 Molecules, Vol 27, Iss 8086, p 8086 (2022) Lecania Pseudephebe Sphaerophorus bioactive compounds antioxidant enzyme inhibition Organic chemistry QD241-441 article 2022 ftdoajarticles https://doi.org/10.3390/molecules27228086 2022-12-30T19:41:03Z 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. Article in Journal/Newspaper Antarc* Antarctic Directory of Open Access Journals: DOAJ Articles Antarctic The Antarctic Molecules 27 22 8086 |
institution |
Open Polar |
collection |
Directory of Open Access Journals: DOAJ Articles |
op_collection_id |
ftdoajarticles |
language |
English |
topic |
Lecania Pseudephebe Sphaerophorus bioactive compounds antioxidant enzyme inhibition Organic chemistry QD241-441 |
spellingShingle |
Lecania Pseudephebe Sphaerophorus bioactive compounds antioxidant enzyme inhibition Organic chemistry QD241-441 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 Organic chemistry QD241-441 |
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 |
Article in Journal/Newspaper |
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 |
MDPI AG |
publishDate |
2022 |
url |
https://doi.org/10.3390/molecules27228086 https://doaj.org/article/2f8d108a89e648c188b940d8f0e795a3 |
geographic |
Antarctic The Antarctic |
geographic_facet |
Antarctic The Antarctic |
genre |
Antarc* Antarctic |
genre_facet |
Antarc* Antarctic |
op_source |
Molecules, Vol 27, Iss 8086, p 8086 (2022) |
op_relation |
https://www.mdpi.com/1420-3049/27/22/8086 https://doaj.org/toc/1420-3049 doi:10.3390/molecules27228086 1420-3049 https://doaj.org/article/2f8d108a89e648c188b940d8f0e795a3 |
op_doi |
https://doi.org/10.3390/molecules27228086 |
container_title |
Molecules |
container_volume |
27 |
container_issue |
22 |
container_start_page |
8086 |
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1766267728393404416 |