Evaluation of in silico toxicity of monoterpene ascaridol

Detalhes bibliográficos
Autor(a) principal: Santana, Maria Tays Pereira
Data de Publicação: 2020
Outros Autores: dos Santos, Thallita Alves, Gomes, Lucas Linhares, Oliveira, Heloisa Mara Batista Fernandes de, Guênes, Gymenna Maria Tenório, Alves, Maria Angélica Sátyro Gomes, Penha, Elizandra Silva da, Anjos, Raline Mendonça dos, Oliveira, Vinícius Filgueiras de, Sousa, Aleson Pereira de, Oliveira Filho, Abrahão Alves de
Tipo de documento: Artigo
Idioma: por
Título da fonte: Research, Society and Development
Texto Completo: https://rsdjournal.org/index.php/rsd/article/view/3094
Resumo: The aim of the present work is to evaluate the in silico toxicity of the monoterpene ascaridol. In the evaluation of toxicity, an in silico study was performed using the AdmetSAR tool to determine AMES Mutagenic Potential, Acute Oral Toxicity (TOA), Carcinogenic Potential (CP) and Carcinogenicity (Car). After the analysis of the substance it was observed that it did not present mutagenic potential by the AMES test, revealing low carcinogenic potential and had a TOA with category II, which showed LD50 ranging from 50mg\Kg - 500mg\Kg. The results demonstrate that ascaridol is absent in mutagenic, carcinogenic and moderate TOA potentials, such characteristics that make this substance viable for future in vitro and in vivo analyzes seeking better use of its bioactive potential in therapeutic targets.
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spelling Evaluation of in silico toxicity of monoterpene ascaridolEvaluación de la toxicidade en silico de ascaridol MonoterpenoAvaliação da toxicidade in silico do monoterpeno ascaridolAscaridoltoxicidadestudio in silicoAscaridoltoxicidadeestudo in sílico.Ascaridoltoxicityin silico studyThe aim of the present work is to evaluate the in silico toxicity of the monoterpene ascaridol. In the evaluation of toxicity, an in silico study was performed using the AdmetSAR tool to determine AMES Mutagenic Potential, Acute Oral Toxicity (TOA), Carcinogenic Potential (CP) and Carcinogenicity (Car). After the analysis of the substance it was observed that it did not present mutagenic potential by the AMES test, revealing low carcinogenic potential and had a TOA with category II, which showed LD50 ranging from 50mg\Kg - 500mg\Kg. The results demonstrate that ascaridol is absent in mutagenic, carcinogenic and moderate TOA potentials, such characteristics that make this substance viable for future in vitro and in vivo analyzes seeking better use of its bioactive potential in therapeutic targets.El objetivo del presente trabajo es evaluar la toxicidad in silico del ascaridol monoterpeno. En la evaluación de la toxicidad, se realizó un estudio in silico utilizando la herramienta AdmetSAR para determinar el potencial mutagénico de AMES, la toxicidad oral aguda (TOA), el potencial carcinogénico (CP) y la carcinogenicidad (automóvil). Después del análisis de la sustancia, se observó que la prueba AMES no presentaba potencial mutagénico, lo que revelaba un potencial carcinogénico bajo y tenía un TOA con categoría II, que mostró LD50 que oscilaba entre 50 mg\Kg - 500 mg\Kg. Los resultados demuestran que el ascaridol está ausente en potenciales mutagénicos, cancerígenos y moderados de TOA, características que hacen que esta sustancia sea viable para futuros análisis in vitro e in vivo que buscan un mejor uso de su potencial bioactivo en objetivos terapéuticos.O objetivo do presente estudo foi avaliar a toxicidade in silico do monoterpeno ascaridol. Na avaliação da toxicidade foi realizado estudo in silico usando a ferramenta AdmetSAR para determinar o Potencial Mutagênico AMES, Toxicidade Oral Aguda (TOA), Potencial Carcinogênico (PC) e Carcinogenicidade (Car). Após a análise da substância foi observado que este não apresentou potencial mutagênico pelo teste de AMES, revelando baixo potencial carcinogênico e teve uma TOA com categoria II, que mostrou DL50 variando de 50mg\Kg – 500mg\Kg. Os resultados demonstram que o ascaridol apresenta ausência nos potenciais mutagênicos, carcinogênico e TOA moderada, tais características que torna essa substância viável para futuras análises in vitro e in vivo buscando melhor uso do seu potencial bioativo em alvos terapêuticos.Research, Society and Development2020-04-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionapplication/pdfhttps://rsdjournal.org/index.php/rsd/article/view/309410.33448/rsd-v9i5.3094Research, Society and Development; Vol. 9 No. 5; e159953094Research, Society and Development; Vol. 9 Núm. 5; e159953094Research, Society and Development; v. 9 n. 5; e1599530942525-3409reponame:Research, Society and Developmentinstname:Universidade Federal de Itajubá (UNIFEI)instacron:UNIFEIporhttps://rsdjournal.org/index.php/rsd/article/view/3094/4788Copyright (c) 2020 Aleson Pereira de Sousainfo:eu-repo/semantics/openAccessSantana, Maria Tays Pereirados Santos, Thallita AlvesGomes, Lucas LinharesOliveira, Heloisa Mara Batista Fernandes deGuênes, Gymenna Maria TenórioAlves, Maria Angélica Sátyro GomesPenha, Elizandra Silva daAnjos, Raline Mendonça dosOliveira, Vinícius Filgueiras deSousa, Aleson Pereira deOliveira Filho, Abrahão Alves de2020-08-20T18:06:36Zoai:ojs.pkp.sfu.ca:article/3094Revistahttps://rsdjournal.org/index.php/rsd/indexPUBhttps://rsdjournal.org/index.php/rsd/oairsd.articles@gmail.com2525-34092525-3409opendoar:2024-01-17T09:27:25.323196Research, Society and Development - Universidade Federal de Itajubá (UNIFEI)false
dc.title.none.fl_str_mv Evaluation of in silico toxicity of monoterpene ascaridol
Evaluación de la toxicidade en silico de ascaridol Monoterpeno
Avaliação da toxicidade in silico do monoterpeno ascaridol
title Evaluation of in silico toxicity of monoterpene ascaridol
spellingShingle Evaluation of in silico toxicity of monoterpene ascaridol
Santana, Maria Tays Pereira
Ascaridol
toxicidad
estudio in silico
Ascaridol
toxicidade
estudo in sílico.
Ascaridol
toxicity
in silico study
title_short Evaluation of in silico toxicity of monoterpene ascaridol
title_full Evaluation of in silico toxicity of monoterpene ascaridol
title_fullStr Evaluation of in silico toxicity of monoterpene ascaridol
title_full_unstemmed Evaluation of in silico toxicity of monoterpene ascaridol
title_sort Evaluation of in silico toxicity of monoterpene ascaridol
author Santana, Maria Tays Pereira
author_facet Santana, Maria Tays Pereira
dos Santos, Thallita Alves
Gomes, Lucas Linhares
Oliveira, Heloisa Mara Batista Fernandes de
Guênes, Gymenna Maria Tenório
Alves, Maria Angélica Sátyro Gomes
Penha, Elizandra Silva da
Anjos, Raline Mendonça dos
Oliveira, Vinícius Filgueiras de
Sousa, Aleson Pereira de
Oliveira Filho, Abrahão Alves de
author_role author
author2 dos Santos, Thallita Alves
Gomes, Lucas Linhares
Oliveira, Heloisa Mara Batista Fernandes de
Guênes, Gymenna Maria Tenório
Alves, Maria Angélica Sátyro Gomes
Penha, Elizandra Silva da
Anjos, Raline Mendonça dos
Oliveira, Vinícius Filgueiras de
Sousa, Aleson Pereira de
Oliveira Filho, Abrahão Alves de
author2_role author
author
author
author
author
author
author
author
author
author
dc.contributor.author.fl_str_mv Santana, Maria Tays Pereira
dos Santos, Thallita Alves
Gomes, Lucas Linhares
Oliveira, Heloisa Mara Batista Fernandes de
Guênes, Gymenna Maria Tenório
Alves, Maria Angélica Sátyro Gomes
Penha, Elizandra Silva da
Anjos, Raline Mendonça dos
Oliveira, Vinícius Filgueiras de
Sousa, Aleson Pereira de
Oliveira Filho, Abrahão Alves de
dc.subject.por.fl_str_mv Ascaridol
toxicidad
estudio in silico
Ascaridol
toxicidade
estudo in sílico.
Ascaridol
toxicity
in silico study
topic Ascaridol
toxicidad
estudio in silico
Ascaridol
toxicidade
estudo in sílico.
Ascaridol
toxicity
in silico study
description The aim of the present work is to evaluate the in silico toxicity of the monoterpene ascaridol. In the evaluation of toxicity, an in silico study was performed using the AdmetSAR tool to determine AMES Mutagenic Potential, Acute Oral Toxicity (TOA), Carcinogenic Potential (CP) and Carcinogenicity (Car). After the analysis of the substance it was observed that it did not present mutagenic potential by the AMES test, revealing low carcinogenic potential and had a TOA with category II, which showed LD50 ranging from 50mg\Kg - 500mg\Kg. The results demonstrate that ascaridol is absent in mutagenic, carcinogenic and moderate TOA potentials, such characteristics that make this substance viable for future in vitro and in vivo analyzes seeking better use of its bioactive potential in therapeutic targets.
publishDate 2020
dc.date.none.fl_str_mv 2020-04-01
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv https://rsdjournal.org/index.php/rsd/article/view/3094
10.33448/rsd-v9i5.3094
url https://rsdjournal.org/index.php/rsd/article/view/3094
identifier_str_mv 10.33448/rsd-v9i5.3094
dc.language.iso.fl_str_mv por
language por
dc.relation.none.fl_str_mv https://rsdjournal.org/index.php/rsd/article/view/3094/4788
dc.rights.driver.fl_str_mv Copyright (c) 2020 Aleson Pereira de Sousa
info:eu-repo/semantics/openAccess
rights_invalid_str_mv Copyright (c) 2020 Aleson Pereira de Sousa
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Research, Society and Development
publisher.none.fl_str_mv Research, Society and Development
dc.source.none.fl_str_mv Research, Society and Development; Vol. 9 No. 5; e159953094
Research, Society and Development; Vol. 9 Núm. 5; e159953094
Research, Society and Development; v. 9 n. 5; e159953094
2525-3409
reponame:Research, Society and Development
instname:Universidade Federal de Itajubá (UNIFEI)
instacron:UNIFEI
instname_str Universidade Federal de Itajubá (UNIFEI)
instacron_str UNIFEI
institution UNIFEI
reponame_str Research, Society and Development
collection Research, Society and Development
repository.name.fl_str_mv Research, Society and Development - Universidade Federal de Itajubá (UNIFEI)
repository.mail.fl_str_mv rsd.articles@gmail.com
_version_ 1797052646966689792

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