Cargando…

Computational analysis of eugenol inhibitory activity in lipoxygenase and cyclooxygenase pathways

Chronic inflammation is triggered by numerous diseases such as osteoarthritis, Crohn's disease and cancer. The control of the pro-inflammatory process can prevent, mitigate and/or inhibit the evolution of these diseases. Therefore, anti-inflammatory drugs have been studied as possible compounds...

Descripción completa

Detalles Bibliográficos
Autores principales: das Chagas Pereira de Andrade, Francisco, Mendes, Anderson Nogueira
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7530671/
https://www.ncbi.nlm.nih.gov/pubmed/33004893
http://dx.doi.org/10.1038/s41598-020-73203-z
_version_ 1783589613440335872
author das Chagas Pereira de Andrade, Francisco
Mendes, Anderson Nogueira
author_facet das Chagas Pereira de Andrade, Francisco
Mendes, Anderson Nogueira
author_sort das Chagas Pereira de Andrade, Francisco
collection PubMed
description Chronic inflammation is triggered by numerous diseases such as osteoarthritis, Crohn's disease and cancer. The control of the pro-inflammatory process can prevent, mitigate and/or inhibit the evolution of these diseases. Therefore, anti-inflammatory drugs have been studied as possible compounds to act in these diseases. This paper proposes a computational analysis of eugenol in relation to aspirin and diclofenac and analyzing the ADMET profile and interactions with COX-2 and 5-LOX enzymes, important enzymes in the signaling pathway of pro-inflammatory processes. Through the analysis of ADMET in silico, it was found that the pharmacokinetic results of eugenol are similar to NSAIDs, such as diclofenac and aspirin. Bioinformatics analysis using coupling tests showed that eugenol can bind to COX-2 and 5-LOX. These results corroborate with different findings in the literature that demonstrate anti-inflammatory activity with less gastric irritation, bleeding and ulcerogenic side effects of eugenol. The results of bioinformatics reinforce studies that try to propose eugenol as an anti-inflammatory compound that can act in the COX-2/5-LOX pathways, replacing some NSAIDs in different diseases.
format Online
Article
Text
id pubmed-7530671
institution National Center for Biotechnology Information
language English
publishDate 2020
publisher Nature Publishing Group UK
record_format MEDLINE/PubMed
spelling pubmed-75306712020-10-02 Computational analysis of eugenol inhibitory activity in lipoxygenase and cyclooxygenase pathways das Chagas Pereira de Andrade, Francisco Mendes, Anderson Nogueira Sci Rep Article Chronic inflammation is triggered by numerous diseases such as osteoarthritis, Crohn's disease and cancer. The control of the pro-inflammatory process can prevent, mitigate and/or inhibit the evolution of these diseases. Therefore, anti-inflammatory drugs have been studied as possible compounds to act in these diseases. This paper proposes a computational analysis of eugenol in relation to aspirin and diclofenac and analyzing the ADMET profile and interactions with COX-2 and 5-LOX enzymes, important enzymes in the signaling pathway of pro-inflammatory processes. Through the analysis of ADMET in silico, it was found that the pharmacokinetic results of eugenol are similar to NSAIDs, such as diclofenac and aspirin. Bioinformatics analysis using coupling tests showed that eugenol can bind to COX-2 and 5-LOX. These results corroborate with different findings in the literature that demonstrate anti-inflammatory activity with less gastric irritation, bleeding and ulcerogenic side effects of eugenol. The results of bioinformatics reinforce studies that try to propose eugenol as an anti-inflammatory compound that can act in the COX-2/5-LOX pathways, replacing some NSAIDs in different diseases. Nature Publishing Group UK 2020-10-01 /pmc/articles/PMC7530671/ /pubmed/33004893 http://dx.doi.org/10.1038/s41598-020-73203-z 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 licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence 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 licence, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
das Chagas Pereira de Andrade, Francisco
Mendes, Anderson Nogueira
Computational analysis of eugenol inhibitory activity in lipoxygenase and cyclooxygenase pathways
title Computational analysis of eugenol inhibitory activity in lipoxygenase and cyclooxygenase pathways
title_full Computational analysis of eugenol inhibitory activity in lipoxygenase and cyclooxygenase pathways
title_fullStr Computational analysis of eugenol inhibitory activity in lipoxygenase and cyclooxygenase pathways
title_full_unstemmed Computational analysis of eugenol inhibitory activity in lipoxygenase and cyclooxygenase pathways
title_short Computational analysis of eugenol inhibitory activity in lipoxygenase and cyclooxygenase pathways
title_sort computational analysis of eugenol inhibitory activity in lipoxygenase and cyclooxygenase pathways
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7530671/
https://www.ncbi.nlm.nih.gov/pubmed/33004893
http://dx.doi.org/10.1038/s41598-020-73203-z
work_keys_str_mv AT daschagaspereiradeandradefrancisco computationalanalysisofeugenolinhibitoryactivityinlipoxygenaseandcyclooxygenasepathways
AT mendesandersonnogueira computationalanalysisofeugenolinhibitoryactivityinlipoxygenaseandcyclooxygenasepathways