In silico evaluation of the anthelmintic activity of Ascaridol monoterpene
Autor(a) principal: | |
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Data de Publicação: | 2020 |
Outros Autores: | , , , , , , , , , , |
Tipo de documento: | Artigo |
Idioma: | por |
Título da fonte: | Research, Society and Development |
DOI: | 10.33448/rsd-v9i7.4944 |
Texto Completo: | https://rsdjournal.org/index.php/rsd/article/view/4944 |
Resumo: | Enteroparasitosis is a serious public health problem in Brazil and worldwide, being caused by parasites such as helminths that cause nutritional damage and can lead the host to death. The drugs used in the treatment of helminthosis can act in several ways, however, the options of these drugs on the market are still limited. Ascaridol is known to have great pharmacological potential in anti-bacterial, anti-fungal, anti-viral and anti-neoplastic therapies. Thus, this work aims to evaluate the anthelmintic activity of Ascaridol through an in silico study. As methodology, the free software Pass Online® was used to analyze the probability of the molecule's activity. Ascaridol demonstrated a good result for the probability of activation (Pa) in relation to the values of the probability of inactivation (Pi) in the anthelmintic and nematode anthelmintic activities. It is concluded that this monoterpene had a high potential as an anthelmintic, however, in vitro and in vivo studies in greater diversity of helminthic species and in toxicological tests are still necessary in order to clarify its safety and therapeutic index. |
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Research, Society and Development |
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In silico evaluation of the anthelmintic activity of Ascaridol monoterpeneEvaluación in silico de la actividad antihelmíntica del Ascaridol monoterpenoAvaliação in silico da atividade anti-helmíntica do monoterpeno AscaridolAscaridolAnthelminticIn silico study.AscaridolAnti-helmíticoEstudo in silico.AscaridolAntihelmínticoEstudio in silico.Enteroparasitosis is a serious public health problem in Brazil and worldwide, being caused by parasites such as helminths that cause nutritional damage and can lead the host to death. The drugs used in the treatment of helminthosis can act in several ways, however, the options of these drugs on the market are still limited. Ascaridol is known to have great pharmacological potential in anti-bacterial, anti-fungal, anti-viral and anti-neoplastic therapies. Thus, this work aims to evaluate the anthelmintic activity of Ascaridol through an in silico study. As methodology, the free software Pass Online® was used to analyze the probability of the molecule's activity. Ascaridol demonstrated a good result for the probability of activation (Pa) in relation to the values of the probability of inactivation (Pi) in the anthelmintic and nematode anthelmintic activities. It is concluded that this monoterpene had a high potential as an anthelmintic, however, in vitro and in vivo studies in greater diversity of helminthic species and in toxicological tests are still necessary in order to clarify its safety and therapeutic index.La enteroparasitosis es un grave problema de salud pública en Brasil y en todo el mundo, causada por parásitos como los helmintos que causan daño nutricional y pueden llevar al huésped a la muerte. Los medicamentos utilizados en el tratamiento de la helmintosis pueden actuar de varias maneras, sin embargo, las opciones de estos medicamentos en el mercado aún son limitadas. Se sabe que el Ascaridol tiene un gran potencial farmacológico en las terapias antibacterianas, antifúngicas, antivirales y antineoplásicas. Por lo tanto, este trabajo tiene como objetivo evaluar la actividad antihelmíntica del Ascaridol a través de un estudio in silico. Como metodología, se utilizó el software gratuito Pass Online® para analizar la probabilidad de la actividad de la molécula. El Ascaridol demostró un buen resultado para la probabilidad de activación (Pa) en relación con los valores de la probabilidad de inactivación (Pi) en las actividades antihelmínticas y antihelmínticas de nematodos. Se concluye que este monoterpeno tenía un alto potencial como antihelmíntico, sin embargo, aún son necesarios estudios in vitro e in vivo en una mayor diversidad de especies helmínticas y en pruebas toxicológicas para aclarar su seguridad y su índice terapéutico.As enteroparasitoses constituem um grave problema de saúde pública no Brasil e no mundo, sendo causadas por parasitas como os helmintos que provocam danos nutricionais e podem levar o hospedeiro ao óbito. Os fármacos utilizados no tratamento de helmintoses podem agir de diversas maneiras, contudo, as opções desses medicamentos no mercado ainda encontram-se limitadas. Sabe-se que o Ascaridol tem demonstrado grande potencial farmacológico em terapias anti-bacterianas, anti-fúngicas, anti-viral e anti-neoplásica. Assim, este trabalho tem como objetivo avaliar a atividade anti-helmítica do Ascaridol através de um estudo in silico. Como metodologia utilizou-se o software gratuito Pass Online® para análise da probabilidade de atividade da molécula. O Ascaridol demonstrou um bom resultado para probabilidade de ativação (Pa) em relação aos valores da probabilidade de inativação (Pi) nas atividades anti-helmíntica nematoide e anti-helmíntica fasciola. Conclui-se que esse monoterpeno apresentou um elevado potencial como anti-helmítico, entretanto, ainda são necessários estudos in vitro e in vivo em maior diversidade de espécies helmínticas e em testes toxicológicos com intuito de elucidar sua segurança e índice terapêutico.Research, Society and Development2020-06-11info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionapplication/pdfhttps://rsdjournal.org/index.php/rsd/article/view/494410.33448/rsd-v9i7.4944Research, Society and Development; Vol. 9 No. 7; e757974944Research, Society and Development; Vol. 9 Núm. 7; e757974944Research, Society and Development; v. 9 n. 7; e7579749442525-3409reponame:Research, Society and Developmentinstname:Universidade Federal de Itajubá (UNIFEI)instacron:UNIFEIporhttps://rsdjournal.org/index.php/rsd/article/view/4944/4167Copyright (c) 2020 Ana Beatriz Bomfim Gomes Ribeiro, Viton Dyrk Guimarães Fernandes, Josilanny Araújo de Souza Alencar, Jessika Paiva Medeiros, Lara Danúbia Galvão de Souza, Ocimar Lopes de Oliveira, Júlia Kiara da Nóbrega Holanda, Lucas Fonseca Nunes, Antônio Matheus Simões Lira, Saraghina Maria Donato da Cunha, Aleson Pereira de Sousa, Abrahão Alves de Oliveira Filhoinfo:eu-repo/semantics/openAccessRibeiro, Ana Beatriz Bomfim GomesFernandes, Viton Dyrk GuimarãesAlencar, Josilanny Araújo de SouzaMedeiros, Jessika PaivaSouza, Lara Danúbia Galvão deOliveira, Ocimar Lopes deHolanda, Júlia Kiara da NóbregaNunes, Lucas FonsecaLira, Antônio Matheus SimõesCunha, Saraghina Maria Donato daSousa, Aleson Pereira deOliveira Filho, Abrahão Alves de2020-08-20T18:05:03Zoai:ojs.pkp.sfu.ca:article/4944Revistahttps://rsdjournal.org/index.php/rsd/indexPUBhttps://rsdjournal.org/index.php/rsd/oairsd.articles@gmail.com2525-34092525-3409opendoar:2024-01-17T09:28:38.097510Research, Society and Development - Universidade Federal de Itajubá (UNIFEI)false |
dc.title.none.fl_str_mv |
In silico evaluation of the anthelmintic activity of Ascaridol monoterpene Evaluación in silico de la actividad antihelmíntica del Ascaridol monoterpeno Avaliação in silico da atividade anti-helmíntica do monoterpeno Ascaridol |
title |
In silico evaluation of the anthelmintic activity of Ascaridol monoterpene |
spellingShingle |
In silico evaluation of the anthelmintic activity of Ascaridol monoterpene In silico evaluation of the anthelmintic activity of Ascaridol monoterpene Ribeiro, Ana Beatriz Bomfim Gomes Ascaridol Anthelmintic In silico study. Ascaridol Anti-helmítico Estudo in silico. Ascaridol Antihelmíntico Estudio in silico. Ribeiro, Ana Beatriz Bomfim Gomes Ascaridol Anthelmintic In silico study. Ascaridol Anti-helmítico Estudo in silico. Ascaridol Antihelmíntico Estudio in silico. |
title_short |
In silico evaluation of the anthelmintic activity of Ascaridol monoterpene |
title_full |
In silico evaluation of the anthelmintic activity of Ascaridol monoterpene |
title_fullStr |
In silico evaluation of the anthelmintic activity of Ascaridol monoterpene In silico evaluation of the anthelmintic activity of Ascaridol monoterpene |
title_full_unstemmed |
In silico evaluation of the anthelmintic activity of Ascaridol monoterpene In silico evaluation of the anthelmintic activity of Ascaridol monoterpene |
title_sort |
In silico evaluation of the anthelmintic activity of Ascaridol monoterpene |
author |
Ribeiro, Ana Beatriz Bomfim Gomes |
author_facet |
Ribeiro, Ana Beatriz Bomfim Gomes Ribeiro, Ana Beatriz Bomfim Gomes Fernandes, Viton Dyrk Guimarães Alencar, Josilanny Araújo de Souza Medeiros, Jessika Paiva Souza, Lara Danúbia Galvão de Oliveira, Ocimar Lopes de Holanda, Júlia Kiara da Nóbrega Nunes, Lucas Fonseca Lira, Antônio Matheus Simões Cunha, Saraghina Maria Donato da Sousa, Aleson Pereira de Oliveira Filho, Abrahão Alves de Fernandes, Viton Dyrk Guimarães Alencar, Josilanny Araújo de Souza Medeiros, Jessika Paiva Souza, Lara Danúbia Galvão de Oliveira, Ocimar Lopes de Holanda, Júlia Kiara da Nóbrega Nunes, Lucas Fonseca Lira, Antônio Matheus Simões Cunha, Saraghina Maria Donato da Sousa, Aleson Pereira de Oliveira Filho, Abrahão Alves de |
author_role |
author |
author2 |
Fernandes, Viton Dyrk Guimarães Alencar, Josilanny Araújo de Souza Medeiros, Jessika Paiva Souza, Lara Danúbia Galvão de Oliveira, Ocimar Lopes de Holanda, Júlia Kiara da Nóbrega Nunes, Lucas Fonseca Lira, Antônio Matheus Simões Cunha, Saraghina Maria Donato da Sousa, Aleson Pereira de Oliveira Filho, Abrahão Alves de |
author2_role |
author author author author author author author author author author author |
dc.contributor.author.fl_str_mv |
Ribeiro, Ana Beatriz Bomfim Gomes Fernandes, Viton Dyrk Guimarães Alencar, Josilanny Araújo de Souza Medeiros, Jessika Paiva Souza, Lara Danúbia Galvão de Oliveira, Ocimar Lopes de Holanda, Júlia Kiara da Nóbrega Nunes, Lucas Fonseca Lira, Antônio Matheus Simões Cunha, Saraghina Maria Donato da Sousa, Aleson Pereira de Oliveira Filho, Abrahão Alves de |
dc.subject.por.fl_str_mv |
Ascaridol Anthelmintic In silico study. Ascaridol Anti-helmítico Estudo in silico. Ascaridol Antihelmíntico Estudio in silico. |
topic |
Ascaridol Anthelmintic In silico study. Ascaridol Anti-helmítico Estudo in silico. Ascaridol Antihelmíntico Estudio in silico. |
description |
Enteroparasitosis is a serious public health problem in Brazil and worldwide, being caused by parasites such as helminths that cause nutritional damage and can lead the host to death. The drugs used in the treatment of helminthosis can act in several ways, however, the options of these drugs on the market are still limited. Ascaridol is known to have great pharmacological potential in anti-bacterial, anti-fungal, anti-viral and anti-neoplastic therapies. Thus, this work aims to evaluate the anthelmintic activity of Ascaridol through an in silico study. As methodology, the free software Pass Online® was used to analyze the probability of the molecule's activity. Ascaridol demonstrated a good result for the probability of activation (Pa) in relation to the values of the probability of inactivation (Pi) in the anthelmintic and nematode anthelmintic activities. It is concluded that this monoterpene had a high potential as an anthelmintic, however, in vitro and in vivo studies in greater diversity of helminthic species and in toxicological tests are still necessary in order to clarify its safety and therapeutic index. |
publishDate |
2020 |
dc.date.none.fl_str_mv |
2020-06-11 |
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/4944 10.33448/rsd-v9i7.4944 |
url |
https://rsdjournal.org/index.php/rsd/article/view/4944 |
identifier_str_mv |
10.33448/rsd-v9i7.4944 |
dc.language.iso.fl_str_mv |
por |
language |
por |
dc.relation.none.fl_str_mv |
https://rsdjournal.org/index.php/rsd/article/view/4944/4167 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
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. 7; e757974944 Research, Society and Development; Vol. 9 Núm. 7; e757974944 Research, Society and Development; v. 9 n. 7; e757974944 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_ |
1822178632365244416 |
dc.identifier.doi.none.fl_str_mv |
10.33448/rsd-v9i7.4944 |