The Free Radical Scavenging Property of the Leaves, Branches, and Roots of Mansoa hirsuta DC: In Vitro Assessment, 3D Pharmacophore, and Molecular Docking Study
Autor(a) principal: | |
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Data de Publicação: | 2022 |
Outros Autores: | , , , , , , , , , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UNESP |
Texto Completo: | http://dx.doi.org/10.3390/molecules27186016 http://hdl.handle.net/11449/245969 |
Resumo: | In this work, a metabolic profile of Mansoa hirsuta was investigated, and in vitro assays and theoretical approaches were carried out to evaluate its antioxidant potential. The phytochemical screening detected saponins, organic acids, phenols, tannins, flavonoids, and alkaloids in extracts of leaves, branches, and roots. Through LC-MS analysis, the triterpenes oleanolic acid (m/z 455 [M-H]−) and ursolic acid (m/z 455 [M-H]−) were identified as the main bioactive components. The extracts of the leaves, branches, and roots revealed moderate antioxidant potential in the DPPH test and all extracts were more active in the ABTS test. The leaf extracts showed better antioxidant capacity, displaying IC50 values of 43.5 ± 0.14, 63.6 ± 0.54, and 56.1 ± 0.05 µg mL−1 for DPPH, ABTS, and kinetics assays, respectively. The leaf extract showed higher total flavonoid content (TFC) (5.12 ± 1.02 mg QR/g), followed by branches (3.16 ± 0.88 QR/g) and roots (2.04 ± 0.52 QR/g/g). The extract of the branches exhibited higher total phenolic content (TPC) (1.07 ± 0.77 GAE/g), followed by leaves (0.58 ± 0.30 GAE/g) and roots (0.19 ± 0.47 GAE/g). Pharmacophore and molecular docking analysis were performed in order to better understand the potential mechanism of the antioxidant activity of its major metabolites. |
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The Free Radical Scavenging Property of the Leaves, Branches, and Roots of Mansoa hirsuta DC: In Vitro Assessment, 3D Pharmacophore, and Molecular Docking StudyantioxidantMansoa hirsutamolecular dockingoxidative stresspharmacophoretriterpenesIn this work, a metabolic profile of Mansoa hirsuta was investigated, and in vitro assays and theoretical approaches were carried out to evaluate its antioxidant potential. The phytochemical screening detected saponins, organic acids, phenols, tannins, flavonoids, and alkaloids in extracts of leaves, branches, and roots. Through LC-MS analysis, the triterpenes oleanolic acid (m/z 455 [M-H]−) and ursolic acid (m/z 455 [M-H]−) were identified as the main bioactive components. The extracts of the leaves, branches, and roots revealed moderate antioxidant potential in the DPPH test and all extracts were more active in the ABTS test. The leaf extracts showed better antioxidant capacity, displaying IC50 values of 43.5 ± 0.14, 63.6 ± 0.54, and 56.1 ± 0.05 µg mL−1 for DPPH, ABTS, and kinetics assays, respectively. The leaf extract showed higher total flavonoid content (TFC) (5.12 ± 1.02 mg QR/g), followed by branches (3.16 ± 0.88 QR/g) and roots (2.04 ± 0.52 QR/g/g). The extract of the branches exhibited higher total phenolic content (TPC) (1.07 ± 0.77 GAE/g), followed by leaves (0.58 ± 0.30 GAE/g) and roots (0.19 ± 0.47 GAE/g). Pharmacophore and molecular docking analysis were performed in order to better understand the potential mechanism of the antioxidant activity of its major metabolites.Fundação de Amparo à Pesquisa e ao Desenvolvimento Científico e Tecnológico do MaranhãoConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Post-Graduation Department in Chemistry Federal University of PiauíMarine Biodiscovery Centre Department of Chemistry University of AberdeenNucleus of Applied Research to Sciences (NIAC) Federal Institute of Maranhão, Campus Presidente DutraInstitute of Chemistry São Paulo State UniversityDepartment of Pharmaceutical Sciences Federal University of PiauíDepartment of Chemistry Federal Institute of PiauiChemistry Institute Federal University of Goias, Campus SamambaiaInstitute of Chemistry São Paulo State UniversityCNPq: 316647/2020-9Federal University of PiauíUniversity of AberdeenFederal Institute of MaranhãoUniversidade Estadual Paulista (UNESP)Federal Institute of PiauiFederal University of GoiasAlves, Patrícia e SilvaPreet, GaganDias, LeandroOliveira, MariaSilva, Rafael [UNESP]Castro, IsioneSilva, GiovannaJúnior, JoaquimLima, NerilsonSilva, Dulce Helena [UNESP]Andrade, TeresinhaJaspars, MarcelFeitosa, Chistiane2023-07-29T12:28:16Z2023-07-29T12:28:16Z2022-09-01info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://dx.doi.org/10.3390/molecules27186016Molecules, v. 27, n. 18, 2022.1420-3049http://hdl.handle.net/11449/24596910.3390/molecules271860162-s2.0-85138691547Scopusreponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengMoleculesinfo:eu-repo/semantics/openAccess2023-07-29T12:28:16Zoai:repositorio.unesp.br:11449/245969Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462023-07-29T12:28:16Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false |
dc.title.none.fl_str_mv |
The Free Radical Scavenging Property of the Leaves, Branches, and Roots of Mansoa hirsuta DC: In Vitro Assessment, 3D Pharmacophore, and Molecular Docking Study |
title |
The Free Radical Scavenging Property of the Leaves, Branches, and Roots of Mansoa hirsuta DC: In Vitro Assessment, 3D Pharmacophore, and Molecular Docking Study |
spellingShingle |
The Free Radical Scavenging Property of the Leaves, Branches, and Roots of Mansoa hirsuta DC: In Vitro Assessment, 3D Pharmacophore, and Molecular Docking Study Alves, Patrícia e Silva antioxidant Mansoa hirsuta molecular docking oxidative stress pharmacophore triterpenes |
title_short |
The Free Radical Scavenging Property of the Leaves, Branches, and Roots of Mansoa hirsuta DC: In Vitro Assessment, 3D Pharmacophore, and Molecular Docking Study |
title_full |
The Free Radical Scavenging Property of the Leaves, Branches, and Roots of Mansoa hirsuta DC: In Vitro Assessment, 3D Pharmacophore, and Molecular Docking Study |
title_fullStr |
The Free Radical Scavenging Property of the Leaves, Branches, and Roots of Mansoa hirsuta DC: In Vitro Assessment, 3D Pharmacophore, and Molecular Docking Study |
title_full_unstemmed |
The Free Radical Scavenging Property of the Leaves, Branches, and Roots of Mansoa hirsuta DC: In Vitro Assessment, 3D Pharmacophore, and Molecular Docking Study |
title_sort |
The Free Radical Scavenging Property of the Leaves, Branches, and Roots of Mansoa hirsuta DC: In Vitro Assessment, 3D Pharmacophore, and Molecular Docking Study |
author |
Alves, Patrícia e Silva |
author_facet |
Alves, Patrícia e Silva Preet, Gagan Dias, Leandro Oliveira, Maria Silva, Rafael [UNESP] Castro, Isione Silva, Giovanna Júnior, Joaquim Lima, Nerilson Silva, Dulce Helena [UNESP] Andrade, Teresinha Jaspars, Marcel Feitosa, Chistiane |
author_role |
author |
author2 |
Preet, Gagan Dias, Leandro Oliveira, Maria Silva, Rafael [UNESP] Castro, Isione Silva, Giovanna Júnior, Joaquim Lima, Nerilson Silva, Dulce Helena [UNESP] Andrade, Teresinha Jaspars, Marcel Feitosa, Chistiane |
author2_role |
author author author author author author author author author author author author |
dc.contributor.none.fl_str_mv |
Federal University of Piauí University of Aberdeen Federal Institute of Maranhão Universidade Estadual Paulista (UNESP) Federal Institute of Piaui Federal University of Goias |
dc.contributor.author.fl_str_mv |
Alves, Patrícia e Silva Preet, Gagan Dias, Leandro Oliveira, Maria Silva, Rafael [UNESP] Castro, Isione Silva, Giovanna Júnior, Joaquim Lima, Nerilson Silva, Dulce Helena [UNESP] Andrade, Teresinha Jaspars, Marcel Feitosa, Chistiane |
dc.subject.por.fl_str_mv |
antioxidant Mansoa hirsuta molecular docking oxidative stress pharmacophore triterpenes |
topic |
antioxidant Mansoa hirsuta molecular docking oxidative stress pharmacophore triterpenes |
description |
In this work, a metabolic profile of Mansoa hirsuta was investigated, and in vitro assays and theoretical approaches were carried out to evaluate its antioxidant potential. The phytochemical screening detected saponins, organic acids, phenols, tannins, flavonoids, and alkaloids in extracts of leaves, branches, and roots. Through LC-MS analysis, the triterpenes oleanolic acid (m/z 455 [M-H]−) and ursolic acid (m/z 455 [M-H]−) were identified as the main bioactive components. The extracts of the leaves, branches, and roots revealed moderate antioxidant potential in the DPPH test and all extracts were more active in the ABTS test. The leaf extracts showed better antioxidant capacity, displaying IC50 values of 43.5 ± 0.14, 63.6 ± 0.54, and 56.1 ± 0.05 µg mL−1 for DPPH, ABTS, and kinetics assays, respectively. The leaf extract showed higher total flavonoid content (TFC) (5.12 ± 1.02 mg QR/g), followed by branches (3.16 ± 0.88 QR/g) and roots (2.04 ± 0.52 QR/g/g). The extract of the branches exhibited higher total phenolic content (TPC) (1.07 ± 0.77 GAE/g), followed by leaves (0.58 ± 0.30 GAE/g) and roots (0.19 ± 0.47 GAE/g). Pharmacophore and molecular docking analysis were performed in order to better understand the potential mechanism of the antioxidant activity of its major metabolites. |
publishDate |
2022 |
dc.date.none.fl_str_mv |
2022-09-01 2023-07-29T12:28:16Z 2023-07-29T12:28:16Z |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://dx.doi.org/10.3390/molecules27186016 Molecules, v. 27, n. 18, 2022. 1420-3049 http://hdl.handle.net/11449/245969 10.3390/molecules27186016 2-s2.0-85138691547 |
url |
http://dx.doi.org/10.3390/molecules27186016 http://hdl.handle.net/11449/245969 |
identifier_str_mv |
Molecules, v. 27, n. 18, 2022. 1420-3049 10.3390/molecules27186016 2-s2.0-85138691547 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
Molecules |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.source.none.fl_str_mv |
Scopus reponame:Repositório Institucional da UNESP instname:Universidade Estadual Paulista (UNESP) instacron:UNESP |
instname_str |
Universidade Estadual Paulista (UNESP) |
instacron_str |
UNESP |
institution |
UNESP |
reponame_str |
Repositório Institucional da UNESP |
collection |
Repositório Institucional da UNESP |
repository.name.fl_str_mv |
Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP) |
repository.mail.fl_str_mv |
|
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1799964735468208128 |