In silico analysis of the pharmacodynamics, pharmacokinetics and toxicity of two compounds isolated from Actinidia deliciosa for investigation of their anti-hyperlipemic potential

Detalhes bibliográficos
Autor(a) principal: Sousa, Glaydiane Alves de
Data de Publicação: 2020
Outros Autores: Martins, Ivis Vinicius de Oliveira, Pimentel, Vinícius Duarte, Sousa, Joubert Aires
Tipo de documento: Artigo
Idioma: por
Título da fonte: Research, Society and Development
Texto Completo: https://rsdjournal.org/index.php/rsd/article/view/4679
Resumo: The present research aimed to evaluate in silico the pharmacodynamics, pharmacokinetics and toxicity of syringic and ursolic acids isolated from Actinidia delicious and to analyze the mechanism that underlies its performance in cholesterol reduction comparing them with the drug simvastatin. The PreADME online server was used to evaluate the pharmacokinetic and toxicological profile through the molecular structure-activity and the AutodockVina software to study the pharmacodynamics and pharmacological potential of molecular interactions. The ADME data obtained for the syringic and ursolic acids were similar to those for simvastatin, in the analysis of the molecular docking it was evidenced that the results were approximate between the tested molecules, however the ursolic acid overlapped with greater interaction stability with the biological target when compared to simvastatin. It was possible to observe from the results that the evaluated compounds are qualified for subsequent in vitro and in vivo tests for a more in-depth study of their anti-hyperlipemic action.
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spelling In silico analysis of the pharmacodynamics, pharmacokinetics and toxicity of two compounds isolated from Actinidia deliciosa for investigation of their anti-hyperlipemic potentialAnálisis in silico de la farmacodinámica, farmacocinética y toxicidad de dos compuestos aislados de Actinidia deliciosa para la investigación de su potencial anti-hiperlipémicoAnálise in silico da farmacodinâmica, farmacocinética e toxicidade de dois compostos isolados da Actinidia deliciosa para investigação do seu potencial anti-hiperlipêmicoActinidia deliciosaAcoplamiento molecularAnálisis in silico.Actinidia deliciosaDocking molecularAnálise in silico.Actinidia deliciosaMolecular dockingIn silico analysis.The present research aimed to evaluate in silico the pharmacodynamics, pharmacokinetics and toxicity of syringic and ursolic acids isolated from Actinidia delicious and to analyze the mechanism that underlies its performance in cholesterol reduction comparing them with the drug simvastatin. The PreADME online server was used to evaluate the pharmacokinetic and toxicological profile through the molecular structure-activity and the AutodockVina software to study the pharmacodynamics and pharmacological potential of molecular interactions. The ADME data obtained for the syringic and ursolic acids were similar to those for simvastatin, in the analysis of the molecular docking it was evidenced that the results were approximate between the tested molecules, however the ursolic acid overlapped with greater interaction stability with the biological target when compared to simvastatin. It was possible to observe from the results that the evaluated compounds are qualified for subsequent in vitro and in vivo tests for a more in-depth study of their anti-hyperlipemic action.La presente investigación tuvo como objetivo evaluar in silico la farmacodinámica, farmacocinética y toxicidad de los ácidos sirínico y ursólicos aislados de Actinidia delicious y analizar el mecanismo que subyace a su rendimiento en la reducción del colesterol comparándolos con el medicamento simvastatina. El servidor en línea PreADME se utilizó para evaluar el perfil farmacocinético y toxicológico a través de la actividad de estructura molecular y el software AutodockVina para estudiar la farmacodinámica y el potencial farmacológico de las interacciones moleculares. Los datos de ADME obtenidos para los ácidos sirínico y ursólico fueron similares a los de la simvastatina, en el análisis del acoplamiento molecular se evidenció que los resultados fueron aproximados entre las moléculas probadas, sin embargo, el ácido ursólico se superpuso con una mayor estabilidad de interacción con el objetivo biológico cuando en comparación con la simvastatina. A partir de los resultados, fue posible observar que los compuestos evaluados están calificados para posteriores pruebas in vitro e in vivo para un estudio más profundo de su acción anti-hiperlipémica.A presente pesquisa visou avaliar in silico a farmacodinâmica, farmacocinética e toxicidade dos ácidos siríngico e ursólico isolados da Actinidia deliciosa e analisar o mecanismo que fundamente a sua atuação na redução do colesterol comparando-os com o fármaco sinvastatina. Foi utilizado o servidor online PreADME para a avaliação do perfil farmacocinético e toxicológico por meio da estrutura-atividade molecular e o software AutodockVina para o estudo da farmacodinâmica e potencial farmacológico das interações moleculares.  Os dados ADME obtidos para os ácidos siríngico e ursólico foram semelhantes aos da sinvastatina, na análise do docking molecular foi evidenciado que os resultados foram aproximados entre as moléculas testadas, contudo o ácido ursólico se sobrepôs com maior estabilidade de interação com o alvo biológico quando comparado a sinvastatina. Foi possível observar a partir dos resultados que os compostos avaliados são qualificados a posteriores ensaios in vitro e in vivo para um estudo mais aprofundado de sua ação anti-hiperlipêmica.Research, Society and Development2020-06-14info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionapplication/pdfhttps://rsdjournal.org/index.php/rsd/article/view/467910.33448/rsd-v9i7.4679Research, Society and Development; Vol. 9 No. 7; e790974679Research, Society and Development; Vol. 9 Núm. 7; e790974679Research, Society and Development; v. 9 n. 7; e7909746792525-3409reponame:Research, Society and Developmentinstname:Universidade Federal de Itajubá (UNIFEI)instacron:UNIFEIporhttps://rsdjournal.org/index.php/rsd/article/view/4679/4210Copyright (c) 2020 Glaydiane Sousa, Ivis Vinicius Martins, Vinicius Pimentel, Joubert Sousainfo:eu-repo/semantics/openAccessSousa, Glaydiane Alves deMartins, Ivis Vinicius de OliveiraPimentel, Vinícius DuarteSousa, Joubert Aires2020-08-20T18:05:03Zoai:ojs.pkp.sfu.ca:article/4679Revistahttps://rsdjournal.org/index.php/rsd/indexPUBhttps://rsdjournal.org/index.php/rsd/oairsd.articles@gmail.com2525-34092525-3409opendoar:2024-01-17T09:28:27.191644Research, Society and Development - Universidade Federal de Itajubá (UNIFEI)false
dc.title.none.fl_str_mv In silico analysis of the pharmacodynamics, pharmacokinetics and toxicity of two compounds isolated from Actinidia deliciosa for investigation of their anti-hyperlipemic potential
Análisis in silico de la farmacodinámica, farmacocinética y toxicidad de dos compuestos aislados de Actinidia deliciosa para la investigación de su potencial anti-hiperlipémico
Análise in silico da farmacodinâmica, farmacocinética e toxicidade de dois compostos isolados da Actinidia deliciosa para investigação do seu potencial anti-hiperlipêmico
title In silico analysis of the pharmacodynamics, pharmacokinetics and toxicity of two compounds isolated from Actinidia deliciosa for investigation of their anti-hyperlipemic potential
spellingShingle In silico analysis of the pharmacodynamics, pharmacokinetics and toxicity of two compounds isolated from Actinidia deliciosa for investigation of their anti-hyperlipemic potential
Sousa, Glaydiane Alves de
Actinidia deliciosa
Acoplamiento molecular
Análisis in silico.
Actinidia deliciosa
Docking molecular
Análise in silico.
Actinidia deliciosa
Molecular docking
In silico analysis.
title_short In silico analysis of the pharmacodynamics, pharmacokinetics and toxicity of two compounds isolated from Actinidia deliciosa for investigation of their anti-hyperlipemic potential
title_full In silico analysis of the pharmacodynamics, pharmacokinetics and toxicity of two compounds isolated from Actinidia deliciosa for investigation of their anti-hyperlipemic potential
title_fullStr In silico analysis of the pharmacodynamics, pharmacokinetics and toxicity of two compounds isolated from Actinidia deliciosa for investigation of their anti-hyperlipemic potential
title_full_unstemmed In silico analysis of the pharmacodynamics, pharmacokinetics and toxicity of two compounds isolated from Actinidia deliciosa for investigation of their anti-hyperlipemic potential
title_sort In silico analysis of the pharmacodynamics, pharmacokinetics and toxicity of two compounds isolated from Actinidia deliciosa for investigation of their anti-hyperlipemic potential
author Sousa, Glaydiane Alves de
author_facet Sousa, Glaydiane Alves de
Martins, Ivis Vinicius de Oliveira
Pimentel, Vinícius Duarte
Sousa, Joubert Aires
author_role author
author2 Martins, Ivis Vinicius de Oliveira
Pimentel, Vinícius Duarte
Sousa, Joubert Aires
author2_role author
author
author
dc.contributor.author.fl_str_mv Sousa, Glaydiane Alves de
Martins, Ivis Vinicius de Oliveira
Pimentel, Vinícius Duarte
Sousa, Joubert Aires
dc.subject.por.fl_str_mv Actinidia deliciosa
Acoplamiento molecular
Análisis in silico.
Actinidia deliciosa
Docking molecular
Análise in silico.
Actinidia deliciosa
Molecular docking
In silico analysis.
topic Actinidia deliciosa
Acoplamiento molecular
Análisis in silico.
Actinidia deliciosa
Docking molecular
Análise in silico.
Actinidia deliciosa
Molecular docking
In silico analysis.
description The present research aimed to evaluate in silico the pharmacodynamics, pharmacokinetics and toxicity of syringic and ursolic acids isolated from Actinidia delicious and to analyze the mechanism that underlies its performance in cholesterol reduction comparing them with the drug simvastatin. The PreADME online server was used to evaluate the pharmacokinetic and toxicological profile through the molecular structure-activity and the AutodockVina software to study the pharmacodynamics and pharmacological potential of molecular interactions. The ADME data obtained for the syringic and ursolic acids were similar to those for simvastatin, in the analysis of the molecular docking it was evidenced that the results were approximate between the tested molecules, however the ursolic acid overlapped with greater interaction stability with the biological target when compared to simvastatin. It was possible to observe from the results that the evaluated compounds are qualified for subsequent in vitro and in vivo tests for a more in-depth study of their anti-hyperlipemic action.
publishDate 2020
dc.date.none.fl_str_mv 2020-06-14
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/4679
10.33448/rsd-v9i7.4679
url https://rsdjournal.org/index.php/rsd/article/view/4679
identifier_str_mv 10.33448/rsd-v9i7.4679
dc.language.iso.fl_str_mv por
language por
dc.relation.none.fl_str_mv https://rsdjournal.org/index.php/rsd/article/view/4679/4210
dc.rights.driver.fl_str_mv Copyright (c) 2020 Glaydiane Sousa, Ivis Vinicius Martins, Vinicius Pimentel, Joubert Sousa
info:eu-repo/semantics/openAccess
rights_invalid_str_mv Copyright (c) 2020 Glaydiane Sousa, Ivis Vinicius Martins, Vinicius Pimentel, Joubert 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. 7; e790974679
Research, Society and Development; Vol. 9 Núm. 7; e790974679
Research, Society and Development; v. 9 n. 7; e790974679
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_ 1797052736422805504

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