In silico study of diperpens isolated from Portulaca pilosa L and their correlation with ethnobotanical studies
Autor(a) principal: | |
---|---|
Data de Publicação: | 2020 |
Outros Autores: | , , , , , |
Tipo de documento: | Artigo |
Idioma: | por |
Título da fonte: | Research, Society and Development |
Texto Completo: | https://rsdjournal.org/index.php/rsd/article/view/10635 |
Resumo: | This study reports the results obtained in the in silico study for the prediction of biological activity of diterpenes present in P. pilosa, relating these results to use claims, pharmacokinetic and toxicological aspects. Several programs were used to predict biological activities, toxicity, pharmacokinetics and physical chemical properties. Prediction studies suggest that healing activity was related to friedelin, but this compound seems to be toxic, has high liposolubility and inhibits CYP. The systemic anti-inflammatory activity was related to pilosanone A and pilosanol A, when toxic, pharmacokinetic and physical-chemical aspects were analyzed, it can be suggested that pilosanol A is more promising. Pilosonone B seems to have an anti-diuretic effect, contrary to the claim of use. In silico studies suggest the antineoplastic potential of pilosonones A and B, pilosanol A and B, relating adverse effects to immunotoxicity, and all compounds evaluated seem to bind to androgen receptors, pilosanone A and B, and portulide may interfere with the prostaglandin pathway and the oxidative cleavage of alkylamines in aldehydes and ammonia. The present study corroborated the claims of healing and anti-inflammatory use of P. pilosa and suggested that the friedeline, pilosanone A and pilosanol A compounds are involved in these activities. |
id |
UNIFEI_e4716eb6e94fd5bec5d556228447b20c |
---|---|
oai_identifier_str |
oai:ojs.pkp.sfu.ca:article/10635 |
network_acronym_str |
UNIFEI |
network_name_str |
Research, Society and Development |
repository_id_str |
|
spelling |
In silico study of diperpens isolated from Portulaca pilosa L and their correlation with ethnobotanical studiesEn silico estudio de diperpens aislados de Portulaca pilosa L y su correlación con estudios etnobotánicosEstudo in silico de diterpenos isolados de Portulaca pilosa L e sua correlação com estudos etnobotânicosPortulaca pilosaFriedelinePilosanolPilosanonePortulide.Portulaca pilosaFriedelinePilosanolPilosanonePortulide.Portulaca pilosaFriedelinaPilosanolPilosanonaPortulide.This study reports the results obtained in the in silico study for the prediction of biological activity of diterpenes present in P. pilosa, relating these results to use claims, pharmacokinetic and toxicological aspects. Several programs were used to predict biological activities, toxicity, pharmacokinetics and physical chemical properties. Prediction studies suggest that healing activity was related to friedelin, but this compound seems to be toxic, has high liposolubility and inhibits CYP. The systemic anti-inflammatory activity was related to pilosanone A and pilosanol A, when toxic, pharmacokinetic and physical-chemical aspects were analyzed, it can be suggested that pilosanol A is more promising. Pilosonone B seems to have an anti-diuretic effect, contrary to the claim of use. In silico studies suggest the antineoplastic potential of pilosonones A and B, pilosanol A and B, relating adverse effects to immunotoxicity, and all compounds evaluated seem to bind to androgen receptors, pilosanone A and B, and portulide may interfere with the prostaglandin pathway and the oxidative cleavage of alkylamines in aldehydes and ammonia. The present study corroborated the claims of healing and anti-inflammatory use of P. pilosa and suggested that the friedeline, pilosanone A and pilosanol A compounds are involved in these activities.Este estudio reporta los resultados obtenidos en el estudio in silico para la predicción de la actividad biológica de los diterpenos presentes en P. pilosa, relacionando estos resultados con declaraciones de uso, aspectos farmacocinéticos y toxicológicos. Se utilizaron varios programas para predecir actividades biológicas, toxicidad, farmacocinética y propiedades físico-químicas. Los estudios de predicción sugieren que la actividad curativa estaba relacionada con la friedelina, pero este compuesto parece ser tóxico, tiene una alta liposolubilidad e inhibe el CYP. La actividad antiinflamatoria sistémica se relacionó con pilosanona A y pilosanol A, cuando se analizaron aspectos tóxicos, farmacocinéticos y físico-químicos, se puede sugerir que el pilosanol A es más prometedor. La pilosonona B parece tener un efecto antidiurético, contrariamente a lo que se dice de su uso. Estudios in silico sugieren el potencial antineoplásico de las pilosononas A y B, pilosanol A y B, relacionando los efectos adversos con la inmunotoxicidad, y todos los compuestos evaluados parecen unirse a los receptores de andrógenos, pilosanona A y B, y la portulida D puede interferir con la vía de las prostaglandinas la escisión oxidativa de alquilaminas en aldehídos y amoniaco. El presente estudio corroboró las afirmaciones del uso curativo y antiinflamatorio de P. pilosa y sugirió que los compuestos de friedeline, pilosanone A y pilosanol A están involucrados en estas actividades.Este trabalho relata os resultados obtidos no estudo in silico para a predição de atividade biológicas de diterpenos presentes em P. pilosa, relacionando estes resultados as alegações de uso, aspectos farmacocinéticos e toxicológicos. Vários programas foram utilizados para a predição das atividades biológicas, toxicidade, farmacocinética e propriedades físico químicas. Os estudos de predição sugerem que atividade cicatrizante foi relacionada a friedelina, porém este composto parece ser tóxico, possui elevada lipossolubilidade e inibi a CYP. A atividade anti-inflamatória sistêmica foi relacionada a pilosanona A e pilosanol A, ao se analisar os aspectos tóxicos, farmacocinéticos e físico-químicos, pode-se sugerir que o pilosanol A seja mais promissor. A pilosonona B parece ter um efeito anti-durético, contrário a alegação de uso. Os estudos in silico sugerem o potencial antineoplásico de pilosononas A e B, pilosanol A e B, relaciona os efeitos adversos a imunotoxicidade, sendo que todos os compostos avaliados parecem ligar aos receptores de androgênio, pilosanona A e B e o portulide podem interferir na via das prostaglandinas e na clivagem oxidativa de alquilaminas em aldeídos e amônia. O presente estudo corroborou com as alegações de uso cicatrizante e anti-inflamatório de P. pilosa e sugeri que os compostos fiedelina, pilosanona A e pilosanol A estejam envolvidos nestas atividades.Research, Society and Development2020-12-10info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionapplication/pdfhttps://rsdjournal.org/index.php/rsd/article/view/1063510.33448/rsd-v9i11.10635Research, Society and Development; Vol. 9 No. 11; e99491110635Research, Society and Development; Vol. 9 Núm. 11; e99491110635Research, Society and Development; v. 9 n. 11; e994911106352525-3409reponame:Research, Society and Developmentinstname:Universidade Federal de Itajubá (UNIFEI)instacron:UNIFEIporhttps://rsdjournal.org/index.php/rsd/article/view/10635/9579Copyright (c) 2020 Dayse Lúcia do Nascimento Brandão; Hanna Patricia dos Santos Martins; Jéssica Melissa Oliveira Tomaz; Gleison Gonçalves Ferreira; Hanna Oeiras Ramos; Sandro Percário; Maria Fâni Dolabelahttps://creativecommons.org/licenses/by/4.0info:eu-repo/semantics/openAccessBrandão, Dayse Lúcia do Nascimento Martins, Hanna Patricia dos Santos Tomaz, Jéssica Melissa Oliveira Ferreira, Gleison Gonçalves Ramos, Hanna Oeiras Percário, SandroDolabela, Maria Fâni 2020-12-10T23:37:57Zoai:ojs.pkp.sfu.ca:article/10635Revistahttps://rsdjournal.org/index.php/rsd/indexPUBhttps://rsdjournal.org/index.php/rsd/oairsd.articles@gmail.com2525-34092525-3409opendoar:2024-01-17T09:32:39.600239Research, Society and Development - Universidade Federal de Itajubá (UNIFEI)false |
dc.title.none.fl_str_mv |
In silico study of diperpens isolated from Portulaca pilosa L and their correlation with ethnobotanical studies En silico estudio de diperpens aislados de Portulaca pilosa L y su correlación con estudios etnobotánicos Estudo in silico de diterpenos isolados de Portulaca pilosa L e sua correlação com estudos etnobotânicos |
title |
In silico study of diperpens isolated from Portulaca pilosa L and their correlation with ethnobotanical studies |
spellingShingle |
In silico study of diperpens isolated from Portulaca pilosa L and their correlation with ethnobotanical studies Brandão, Dayse Lúcia do Nascimento Portulaca pilosa Friedeline Pilosanol Pilosanone Portulide. Portulaca pilosa Friedeline Pilosanol Pilosanone Portulide. Portulaca pilosa Friedelina Pilosanol Pilosanona Portulide. |
title_short |
In silico study of diperpens isolated from Portulaca pilosa L and their correlation with ethnobotanical studies |
title_full |
In silico study of diperpens isolated from Portulaca pilosa L and their correlation with ethnobotanical studies |
title_fullStr |
In silico study of diperpens isolated from Portulaca pilosa L and their correlation with ethnobotanical studies |
title_full_unstemmed |
In silico study of diperpens isolated from Portulaca pilosa L and their correlation with ethnobotanical studies |
title_sort |
In silico study of diperpens isolated from Portulaca pilosa L and their correlation with ethnobotanical studies |
author |
Brandão, Dayse Lúcia do Nascimento |
author_facet |
Brandão, Dayse Lúcia do Nascimento Martins, Hanna Patricia dos Santos Tomaz, Jéssica Melissa Oliveira Ferreira, Gleison Gonçalves Ramos, Hanna Oeiras Percário, Sandro Dolabela, Maria Fâni |
author_role |
author |
author2 |
Martins, Hanna Patricia dos Santos Tomaz, Jéssica Melissa Oliveira Ferreira, Gleison Gonçalves Ramos, Hanna Oeiras Percário, Sandro Dolabela, Maria Fâni |
author2_role |
author author author author author author |
dc.contributor.author.fl_str_mv |
Brandão, Dayse Lúcia do Nascimento Martins, Hanna Patricia dos Santos Tomaz, Jéssica Melissa Oliveira Ferreira, Gleison Gonçalves Ramos, Hanna Oeiras Percário, Sandro Dolabela, Maria Fâni |
dc.subject.por.fl_str_mv |
Portulaca pilosa Friedeline Pilosanol Pilosanone Portulide. Portulaca pilosa Friedeline Pilosanol Pilosanone Portulide. Portulaca pilosa Friedelina Pilosanol Pilosanona Portulide. |
topic |
Portulaca pilosa Friedeline Pilosanol Pilosanone Portulide. Portulaca pilosa Friedeline Pilosanol Pilosanone Portulide. Portulaca pilosa Friedelina Pilosanol Pilosanona Portulide. |
description |
This study reports the results obtained in the in silico study for the prediction of biological activity of diterpenes present in P. pilosa, relating these results to use claims, pharmacokinetic and toxicological aspects. Several programs were used to predict biological activities, toxicity, pharmacokinetics and physical chemical properties. Prediction studies suggest that healing activity was related to friedelin, but this compound seems to be toxic, has high liposolubility and inhibits CYP. The systemic anti-inflammatory activity was related to pilosanone A and pilosanol A, when toxic, pharmacokinetic and physical-chemical aspects were analyzed, it can be suggested that pilosanol A is more promising. Pilosonone B seems to have an anti-diuretic effect, contrary to the claim of use. In silico studies suggest the antineoplastic potential of pilosonones A and B, pilosanol A and B, relating adverse effects to immunotoxicity, and all compounds evaluated seem to bind to androgen receptors, pilosanone A and B, and portulide may interfere with the prostaglandin pathway and the oxidative cleavage of alkylamines in aldehydes and ammonia. The present study corroborated the claims of healing and anti-inflammatory use of P. pilosa and suggested that the friedeline, pilosanone A and pilosanol A compounds are involved in these activities. |
publishDate |
2020 |
dc.date.none.fl_str_mv |
2020-12-10 |
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/10635 10.33448/rsd-v9i11.10635 |
url |
https://rsdjournal.org/index.php/rsd/article/view/10635 |
identifier_str_mv |
10.33448/rsd-v9i11.10635 |
dc.language.iso.fl_str_mv |
por |
language |
por |
dc.relation.none.fl_str_mv |
https://rsdjournal.org/index.php/rsd/article/view/10635/9579 |
dc.rights.driver.fl_str_mv |
https://creativecommons.org/licenses/by/4.0 info:eu-repo/semantics/openAccess |
rights_invalid_str_mv |
https://creativecommons.org/licenses/by/4.0 |
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. 11; e99491110635 Research, Society and Development; Vol. 9 Núm. 11; e99491110635 Research, Society and Development; v. 9 n. 11; e99491110635 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_ |
1797052665289506816 |