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Ultrasound-Assisted Extraction, LC–MS/MS Analysis, Anticholinesterase, and Antioxidant Activities of Valuable Natural Metabolites from Astragalus armatus Willd.: In Silico Molecular Docking and In Vitro Enzymatic Studies

The Astragalus armatus Willd. plant’s phenolic constituent extraction and identification were optimized using the ultrasound-assisted extraction (UAE) method and the LC–MS/MS analysis, respectively. Additionally, cupric reducing antioxidant capacity (CUPRAC), beta carotene, reducing power, DMSO alca...

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Autores principales: Lekmine, Sabrina, Bendjedid, Samira, Benslama, Ouided, Martín-García, Antonio Ignacio, Boussekine, Samira, Kadi, Kenza, Akkal, Salah, Nieto, Gema, Sami, Rokayya, Al-Mushhin, Amina A. M., Baakdah, Morooj M., Aljaadi, Abeer M., Alharthy, Saif A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9598503/
https://www.ncbi.nlm.nih.gov/pubmed/36290723
http://dx.doi.org/10.3390/antiox11102000
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author Lekmine, Sabrina
Bendjedid, Samira
Benslama, Ouided
Martín-García, Antonio Ignacio
Boussekine, Samira
Kadi, Kenza
Akkal, Salah
Nieto, Gema
Sami, Rokayya
Al-Mushhin, Amina A. M.
Baakdah, Morooj M.
Aljaadi, Abeer M.
Alharthy, Saif A.
author_facet Lekmine, Sabrina
Bendjedid, Samira
Benslama, Ouided
Martín-García, Antonio Ignacio
Boussekine, Samira
Kadi, Kenza
Akkal, Salah
Nieto, Gema
Sami, Rokayya
Al-Mushhin, Amina A. M.
Baakdah, Morooj M.
Aljaadi, Abeer M.
Alharthy, Saif A.
author_sort Lekmine, Sabrina
collection PubMed
description The Astragalus armatus Willd. plant’s phenolic constituent extraction and identification were optimized using the ultrasound-assisted extraction (UAE) method and the LC–MS/MS analysis, respectively. Additionally, cupric reducing antioxidant capacity (CUPRAC), beta carotene, reducing power, DMSO alcalin, silver nanoparticle (SNP)-based method, phenanthroline, and hydroxyl radical tests were utilized to assess the extract’s antioxidant capacity, while the neuroprotective effect was examined in vitro against acetylcholinesterase enzyme. This study accurately estimated the chemical bonding between the identified phenolic molecules derived from LC–MS/MS and the AChE. The extract was found to contain sixteen phenolic substances, and rosmarinic, protocatechuic, and chlorogenic acids, as well as 4-hydroxybenzoic, hyperoside, and hesperidin, were the most abundant substances in the extract. In all antioxidant experiments, the plant extract demonstrated strong antioxidant activity and a significant inhibitory impact against AChE (40.25 ± 1.41 μg/mL). According to molecular docking affinity to the enzyme AChE, the top-five molecules were found to be luteolin, quercetin, naringenin, rosmarinic acid, and kaempferol. Furthermore, these tested polyphenols satisfy the essential requirements for drug-like characteristics and Lipinski’s rule of five. These results highlight the significance of the A. armatus plant in cosmetics, as food additives, and in the pharmaceutical industry due to its rosmarinic and chlorogenic acid content.
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spelling pubmed-95985032022-10-27 Ultrasound-Assisted Extraction, LC–MS/MS Analysis, Anticholinesterase, and Antioxidant Activities of Valuable Natural Metabolites from Astragalus armatus Willd.: In Silico Molecular Docking and In Vitro Enzymatic Studies Lekmine, Sabrina Bendjedid, Samira Benslama, Ouided Martín-García, Antonio Ignacio Boussekine, Samira Kadi, Kenza Akkal, Salah Nieto, Gema Sami, Rokayya Al-Mushhin, Amina A. M. Baakdah, Morooj M. Aljaadi, Abeer M. Alharthy, Saif A. Antioxidants (Basel) Article The Astragalus armatus Willd. plant’s phenolic constituent extraction and identification were optimized using the ultrasound-assisted extraction (UAE) method and the LC–MS/MS analysis, respectively. Additionally, cupric reducing antioxidant capacity (CUPRAC), beta carotene, reducing power, DMSO alcalin, silver nanoparticle (SNP)-based method, phenanthroline, and hydroxyl radical tests were utilized to assess the extract’s antioxidant capacity, while the neuroprotective effect was examined in vitro against acetylcholinesterase enzyme. This study accurately estimated the chemical bonding between the identified phenolic molecules derived from LC–MS/MS and the AChE. The extract was found to contain sixteen phenolic substances, and rosmarinic, protocatechuic, and chlorogenic acids, as well as 4-hydroxybenzoic, hyperoside, and hesperidin, were the most abundant substances in the extract. In all antioxidant experiments, the plant extract demonstrated strong antioxidant activity and a significant inhibitory impact against AChE (40.25 ± 1.41 μg/mL). According to molecular docking affinity to the enzyme AChE, the top-five molecules were found to be luteolin, quercetin, naringenin, rosmarinic acid, and kaempferol. Furthermore, these tested polyphenols satisfy the essential requirements for drug-like characteristics and Lipinski’s rule of five. These results highlight the significance of the A. armatus plant in cosmetics, as food additives, and in the pharmaceutical industry due to its rosmarinic and chlorogenic acid content. MDPI 2022-10-09 /pmc/articles/PMC9598503/ /pubmed/36290723 http://dx.doi.org/10.3390/antiox11102000 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Lekmine, Sabrina
Bendjedid, Samira
Benslama, Ouided
Martín-García, Antonio Ignacio
Boussekine, Samira
Kadi, Kenza
Akkal, Salah
Nieto, Gema
Sami, Rokayya
Al-Mushhin, Amina A. M.
Baakdah, Morooj M.
Aljaadi, Abeer M.
Alharthy, Saif A.
Ultrasound-Assisted Extraction, LC–MS/MS Analysis, Anticholinesterase, and Antioxidant Activities of Valuable Natural Metabolites from Astragalus armatus Willd.: In Silico Molecular Docking and In Vitro Enzymatic Studies
title Ultrasound-Assisted Extraction, LC–MS/MS Analysis, Anticholinesterase, and Antioxidant Activities of Valuable Natural Metabolites from Astragalus armatus Willd.: In Silico Molecular Docking and In Vitro Enzymatic Studies
title_full Ultrasound-Assisted Extraction, LC–MS/MS Analysis, Anticholinesterase, and Antioxidant Activities of Valuable Natural Metabolites from Astragalus armatus Willd.: In Silico Molecular Docking and In Vitro Enzymatic Studies
title_fullStr Ultrasound-Assisted Extraction, LC–MS/MS Analysis, Anticholinesterase, and Antioxidant Activities of Valuable Natural Metabolites from Astragalus armatus Willd.: In Silico Molecular Docking and In Vitro Enzymatic Studies
title_full_unstemmed Ultrasound-Assisted Extraction, LC–MS/MS Analysis, Anticholinesterase, and Antioxidant Activities of Valuable Natural Metabolites from Astragalus armatus Willd.: In Silico Molecular Docking and In Vitro Enzymatic Studies
title_short Ultrasound-Assisted Extraction, LC–MS/MS Analysis, Anticholinesterase, and Antioxidant Activities of Valuable Natural Metabolites from Astragalus armatus Willd.: In Silico Molecular Docking and In Vitro Enzymatic Studies
title_sort ultrasound-assisted extraction, lc–ms/ms analysis, anticholinesterase, and antioxidant activities of valuable natural metabolites from astragalus armatus willd.: in silico molecular docking and in vitro enzymatic studies
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9598503/
https://www.ncbi.nlm.nih.gov/pubmed/36290723
http://dx.doi.org/10.3390/antiox11102000
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