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In vitro and in silico scolicidal effect of sanguinarine on the hydatid cyst protoscoleces
We aimed to investigate the scolicidal effects of sanguinarine on hydatid cyst protoscoleces (PSCs) in vitro and in silico. Different targets were docked into the active sites of sanguinarine. Molecular docking processes and visualization of interactions were performed using AutoDock Vina and Discov...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Public Library of Science
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10599545/ https://www.ncbi.nlm.nih.gov/pubmed/37878663 http://dx.doi.org/10.1371/journal.pone.0290947 |
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author | Hassanzadeh, Elham Khademvatan, Shahram Jafari, Behzad Jafari, Abbas Yousefi, Elham |
author_facet | Hassanzadeh, Elham Khademvatan, Shahram Jafari, Behzad Jafari, Abbas Yousefi, Elham |
author_sort | Hassanzadeh, Elham |
collection | PubMed |
description | We aimed to investigate the scolicidal effects of sanguinarine on hydatid cyst protoscoleces (PSCs) in vitro and in silico. Different targets were docked into the active sites of sanguinarine. Molecular docking processes and visualization of interactions were performed using AutoDock Vina and Discovery Studio Visualizer. Binding energy was calculated and compared (kcal/mol). PSCs were aspirated from the hydatid cysts and washed. The sediments of PSCs were then exposed to various concentrations (50, 25, 12, 6, 3, and 1 μg/mL) of sanguinarine. The viability test was finally evaluated by the Trypan blue solution 4%. Levels of malondialdehyde (MDA), superoxide dismutase (SOD), glutathione (GSH), glutathione peroxidase (GPX), and catalase were analyzed to assess the level of oxidative stress-treated PSCs. Caspase-3 activity rate was determined to evaluate cell apoptosis in treated PSCs. Among the receptors, acetylcholinesterase was identified as the excellent target, with Vina score of -11.8. Sanguinarine showed high scolicidal effects after 12, 24, and 48 h. Also, in the first hour of exposure to the drug, caspase-3 activity and MDA level significantly increased, but the levels of GSH and GPx had a significant reduction after 12, 24, and 48 h (P < 0.05). The findings of this study revealed that sanguinarine have potent scolicidal effects in vitro and in silico and could be considered an opportunity for the introduction of a novel and safe therapeutic agent for the treatment of cystic echinococcosis. However, supplementary studies will be desired to prove the current findings by examining sanguinarine in a clinical setting. |
format | Online Article Text |
id | pubmed-10599545 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | Public Library of Science |
record_format | MEDLINE/PubMed |
spelling | pubmed-105995452023-10-26 In vitro and in silico scolicidal effect of sanguinarine on the hydatid cyst protoscoleces Hassanzadeh, Elham Khademvatan, Shahram Jafari, Behzad Jafari, Abbas Yousefi, Elham PLoS One Research Article We aimed to investigate the scolicidal effects of sanguinarine on hydatid cyst protoscoleces (PSCs) in vitro and in silico. Different targets were docked into the active sites of sanguinarine. Molecular docking processes and visualization of interactions were performed using AutoDock Vina and Discovery Studio Visualizer. Binding energy was calculated and compared (kcal/mol). PSCs were aspirated from the hydatid cysts and washed. The sediments of PSCs were then exposed to various concentrations (50, 25, 12, 6, 3, and 1 μg/mL) of sanguinarine. The viability test was finally evaluated by the Trypan blue solution 4%. Levels of malondialdehyde (MDA), superoxide dismutase (SOD), glutathione (GSH), glutathione peroxidase (GPX), and catalase were analyzed to assess the level of oxidative stress-treated PSCs. Caspase-3 activity rate was determined to evaluate cell apoptosis in treated PSCs. Among the receptors, acetylcholinesterase was identified as the excellent target, with Vina score of -11.8. Sanguinarine showed high scolicidal effects after 12, 24, and 48 h. Also, in the first hour of exposure to the drug, caspase-3 activity and MDA level significantly increased, but the levels of GSH and GPx had a significant reduction after 12, 24, and 48 h (P < 0.05). The findings of this study revealed that sanguinarine have potent scolicidal effects in vitro and in silico and could be considered an opportunity for the introduction of a novel and safe therapeutic agent for the treatment of cystic echinococcosis. However, supplementary studies will be desired to prove the current findings by examining sanguinarine in a clinical setting. Public Library of Science 2023-10-25 /pmc/articles/PMC10599545/ /pubmed/37878663 http://dx.doi.org/10.1371/journal.pone.0290947 Text en © 2023 Hassanzadeh et al https://creativecommons.org/licenses/by/4.0/This is an open access article distributed under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/) , which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. |
spellingShingle | Research Article Hassanzadeh, Elham Khademvatan, Shahram Jafari, Behzad Jafari, Abbas Yousefi, Elham In vitro and in silico scolicidal effect of sanguinarine on the hydatid cyst protoscoleces |
title | In vitro and in silico scolicidal effect of sanguinarine on the hydatid cyst protoscoleces |
title_full | In vitro and in silico scolicidal effect of sanguinarine on the hydatid cyst protoscoleces |
title_fullStr | In vitro and in silico scolicidal effect of sanguinarine on the hydatid cyst protoscoleces |
title_full_unstemmed | In vitro and in silico scolicidal effect of sanguinarine on the hydatid cyst protoscoleces |
title_short | In vitro and in silico scolicidal effect of sanguinarine on the hydatid cyst protoscoleces |
title_sort | in vitro and in silico scolicidal effect of sanguinarine on the hydatid cyst protoscoleces |
topic | Research Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10599545/ https://www.ncbi.nlm.nih.gov/pubmed/37878663 http://dx.doi.org/10.1371/journal.pone.0290947 |
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