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Antimicrobial Activity and Molecular Docking Studies of the Biotransformation of Diterpene Acanthoic Acid Using the Fungus Xylaria sp.
Biotransformations are reactions mediated by microorganisms, such as fungi. These bioreactions have high chemo- and stereoselectivity on organic substrates and can be applied in the search for new bioactive compounds. In this study, acanthoic acid (AA) was biotransformed using the fungus Xylaria sp....
Autores principales: | , , , , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10451833/ https://www.ncbi.nlm.nih.gov/pubmed/37627751 http://dx.doi.org/10.3390/antibiotics12081331 |
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author | Marinho, Andrey Moacir do Rosario de Oliveira, Claudia Maria S. C. Silva-Silva, João Victor de Jesus, Samara C. Anchieta Siqueira, José Edson S. de Oliveira, Luana C. Auzier, Jéssica Fernandes Soares, Liviane N. Pinheiro, Maria Lúcia Belém Silva, Sebastião C. Medeiros, Lívia S. Costa, Emmanoel V. Marinho, Patrícia S. Barbosa |
author_facet | Marinho, Andrey Moacir do Rosario de Oliveira, Claudia Maria S. C. Silva-Silva, João Victor de Jesus, Samara C. Anchieta Siqueira, José Edson S. de Oliveira, Luana C. Auzier, Jéssica Fernandes Soares, Liviane N. Pinheiro, Maria Lúcia Belém Silva, Sebastião C. Medeiros, Lívia S. Costa, Emmanoel V. Marinho, Patrícia S. Barbosa |
author_sort | Marinho, Andrey Moacir do Rosario |
collection | PubMed |
description | Biotransformations are reactions mediated by microorganisms, such as fungi. These bioreactions have high chemo- and stereoselectivity on organic substrates and can be applied in the search for new bioactive compounds. In this study, acanthoic acid (AA) was biotransformed using the fungus Xylaria sp., giving the novel compound 3β,7β-dihydroxyacanthoic acid (S1). Both the AA and the product S1 were tested against Gram-positive and Gram-negative bacteria. To identify and validate possible biological targets as enzymes or proteins involved in the activity observed in vitro, we used the molecular docking method. Hydroxylation at the C-3 and C-7 positions of the biotransformation product enhanced its activity against Escherichia coli as well as its binding affinity and interactions with superoxide dismutase 1 (SOD1; PDB ID 4A7G). Based on our results, the SOD1 enzyme was suggested to be a possible target for the antioxidant activity of product S1. |
format | Online Article Text |
id | pubmed-10451833 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-104518332023-08-26 Antimicrobial Activity and Molecular Docking Studies of the Biotransformation of Diterpene Acanthoic Acid Using the Fungus Xylaria sp. Marinho, Andrey Moacir do Rosario de Oliveira, Claudia Maria S. C. Silva-Silva, João Victor de Jesus, Samara C. Anchieta Siqueira, José Edson S. de Oliveira, Luana C. Auzier, Jéssica Fernandes Soares, Liviane N. Pinheiro, Maria Lúcia Belém Silva, Sebastião C. Medeiros, Lívia S. Costa, Emmanoel V. Marinho, Patrícia S. Barbosa Antibiotics (Basel) Article Biotransformations are reactions mediated by microorganisms, such as fungi. These bioreactions have high chemo- and stereoselectivity on organic substrates and can be applied in the search for new bioactive compounds. In this study, acanthoic acid (AA) was biotransformed using the fungus Xylaria sp., giving the novel compound 3β,7β-dihydroxyacanthoic acid (S1). Both the AA and the product S1 were tested against Gram-positive and Gram-negative bacteria. To identify and validate possible biological targets as enzymes or proteins involved in the activity observed in vitro, we used the molecular docking method. Hydroxylation at the C-3 and C-7 positions of the biotransformation product enhanced its activity against Escherichia coli as well as its binding affinity and interactions with superoxide dismutase 1 (SOD1; PDB ID 4A7G). Based on our results, the SOD1 enzyme was suggested to be a possible target for the antioxidant activity of product S1. MDPI 2023-08-18 /pmc/articles/PMC10451833/ /pubmed/37627751 http://dx.doi.org/10.3390/antibiotics12081331 Text en © 2023 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Marinho, Andrey Moacir do Rosario de Oliveira, Claudia Maria S. C. Silva-Silva, João Victor de Jesus, Samara C. Anchieta Siqueira, José Edson S. de Oliveira, Luana C. Auzier, Jéssica Fernandes Soares, Liviane N. Pinheiro, Maria Lúcia Belém Silva, Sebastião C. Medeiros, Lívia S. Costa, Emmanoel V. Marinho, Patrícia S. Barbosa Antimicrobial Activity and Molecular Docking Studies of the Biotransformation of Diterpene Acanthoic Acid Using the Fungus Xylaria sp. |
title | Antimicrobial Activity and Molecular Docking Studies of the Biotransformation of Diterpene Acanthoic Acid Using the Fungus Xylaria sp. |
title_full | Antimicrobial Activity and Molecular Docking Studies of the Biotransformation of Diterpene Acanthoic Acid Using the Fungus Xylaria sp. |
title_fullStr | Antimicrobial Activity and Molecular Docking Studies of the Biotransformation of Diterpene Acanthoic Acid Using the Fungus Xylaria sp. |
title_full_unstemmed | Antimicrobial Activity and Molecular Docking Studies of the Biotransformation of Diterpene Acanthoic Acid Using the Fungus Xylaria sp. |
title_short | Antimicrobial Activity and Molecular Docking Studies of the Biotransformation of Diterpene Acanthoic Acid Using the Fungus Xylaria sp. |
title_sort | antimicrobial activity and molecular docking studies of the biotransformation of diterpene acanthoic acid using the fungus xylaria sp. |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10451833/ https://www.ncbi.nlm.nih.gov/pubmed/37627751 http://dx.doi.org/10.3390/antibiotics12081331 |
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