Anti-Cholinergic Effects of the Phenolic Extract from the <i>Astragalus crenatus</i> Plant: A Computational and Network Pharmacology Study
Investigations into cholinesterase inhibition have received attention from researchers in recent years for the treatment of Alzheimer’s disease. Cholinesterase enzymes, namely, acetylcholinesterase (AChE) and butyrylcholinesterase (BChE), hold pivotal significance in Alzheimer’s disease (AD) treatme...
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MDPI AG
2024-03-01
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| Series: | Pharmaceuticals |
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| Online Access: | https://www.mdpi.com/1424-8247/17/3/348 |
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| author | Sabrina Lekmine Ouided Benslama Hichem Tahraoui Mohammad Shamsul Ola Aicha Laouani Kenza Kadi Antonio Ignacio Martín-García Ahmad Ali |
| author_facet | Sabrina Lekmine Ouided Benslama Hichem Tahraoui Mohammad Shamsul Ola Aicha Laouani Kenza Kadi Antonio Ignacio Martín-García Ahmad Ali |
| author_sort | Sabrina Lekmine |
| collection | DOAJ |
| description | Investigations into cholinesterase inhibition have received attention from researchers in recent years for the treatment of Alzheimer’s disease. Cholinesterase enzymes, namely, acetylcholinesterase (AChE) and butyrylcholinesterase (BChE), hold pivotal significance in Alzheimer’s disease (AD) treatment. In this study, we utilized the ethanolic extract of <i>Astragalus crenatus</i> followed by liquid chromatography–electrospray ionization tandem mass spectrometry (LC-ESI-MS/MS) to separate and identify at least 21 compounds in the extract. Rosmarinic acid exhibited the highest concentration (96.675 ± 1.3 mg/g extract), succeeded by hesperidin (79.613 ± 1.2 mg/g extract), hesperetin (75.102 ± 1.4 mg/g extract), rutin (68.156 ± 1.6 mg/g extract), chlorogenic acid (67.645 ± 1.5 mg/g extract), fisetin (66.647 ± 2.3 mg/g extract), and hyperoside (63.173 ± 1.5 mg/g extract). <i>A. crenatus</i> extract efficiently inhibited both AChE and BChE activities in a dosage-dependent manner. Molecular docking was employed to scrutinize the anticholinesterase mechanisms of the identified phytocompounds. Notably, a network pharmacology analysis was executed for the most efficacious compound. Based on binding energies, hesperidin emerged as the most potent inhibitor against both AChE and BChE, exhibiting scores of −10.5 Kcal/mol and −9.8 Kcal/mol, respectively. Due to its dual inhibition of AChE and BChE activities, hesperidin from <i>Astragalus crenatus</i> holds promise for the development of novel therapeutics aimed at neurological disorders, particularly AD. |
| first_indexed | 2024-04-24T17:56:30Z |
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| institution | Directory Open Access Journal |
| issn | 1424-8247 |
| language | English |
| last_indexed | 2024-04-24T17:56:30Z |
| publishDate | 2024-03-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Pharmaceuticals |
| spelling | doaj.art-cb7c22075e534b2b84b906730416d1472024-03-27T13:59:21ZengMDPI AGPharmaceuticals1424-82472024-03-0117334810.3390/ph17030348Anti-Cholinergic Effects of the Phenolic Extract from the <i>Astragalus crenatus</i> Plant: A Computational and Network Pharmacology StudySabrina Lekmine0Ouided Benslama1Hichem Tahraoui2Mohammad Shamsul Ola3Aicha Laouani4Kenza Kadi5Antonio Ignacio Martín-García6Ahmad Ali7Biotechnology, Water, Environment and Health Laboratory, Abbes Laghrour University, Khenchela 40004, AlgeriaLaboratory of Natural Substances, Biomolecules, and Biotechnological Applications, Department of Natural and Life Sciences, Larbi Ben M’Hidi University, Oum El Bouaghi 04000, AlgeriaLaboratory of Biomaterials and Transport Phenomena, University of Medea, Medea 26000, AlgeriaDepartment of Biochemistry, College of Science, King Saud University, Riyadh 11451, Saudi ArabiaLaboratory of Metabolic Biophysics and Applied Pharmacology, Faculty of Medicine, University of Sousse, Sousse 4002, TunisiaBiotechnology, Water, Environment and Health Laboratory, Abbes Laghrour University, Khenchela 40004, AlgeriaEstación Experimental del Zaidín (CSIC), Profesor Albareda 1, 18008 Granada, SpainDepartment of Life Sciences, University of Mumbai, Vidyanagari, Mumbai 400098, IndiaInvestigations into cholinesterase inhibition have received attention from researchers in recent years for the treatment of Alzheimer’s disease. Cholinesterase enzymes, namely, acetylcholinesterase (AChE) and butyrylcholinesterase (BChE), hold pivotal significance in Alzheimer’s disease (AD) treatment. In this study, we utilized the ethanolic extract of <i>Astragalus crenatus</i> followed by liquid chromatography–electrospray ionization tandem mass spectrometry (LC-ESI-MS/MS) to separate and identify at least 21 compounds in the extract. Rosmarinic acid exhibited the highest concentration (96.675 ± 1.3 mg/g extract), succeeded by hesperidin (79.613 ± 1.2 mg/g extract), hesperetin (75.102 ± 1.4 mg/g extract), rutin (68.156 ± 1.6 mg/g extract), chlorogenic acid (67.645 ± 1.5 mg/g extract), fisetin (66.647 ± 2.3 mg/g extract), and hyperoside (63.173 ± 1.5 mg/g extract). <i>A. crenatus</i> extract efficiently inhibited both AChE and BChE activities in a dosage-dependent manner. Molecular docking was employed to scrutinize the anticholinesterase mechanisms of the identified phytocompounds. Notably, a network pharmacology analysis was executed for the most efficacious compound. Based on binding energies, hesperidin emerged as the most potent inhibitor against both AChE and BChE, exhibiting scores of −10.5 Kcal/mol and −9.8 Kcal/mol, respectively. Due to its dual inhibition of AChE and BChE activities, hesperidin from <i>Astragalus crenatus</i> holds promise for the development of novel therapeutics aimed at neurological disorders, particularly AD.https://www.mdpi.com/1424-8247/17/3/348<i>Astraglus crenatus</i> Schult.Alzheimer’s diseaseacetylcholinesterasebutyrylcholinesterasemolecular dockingnetwork pharmacology |
| spellingShingle | Sabrina Lekmine Ouided Benslama Hichem Tahraoui Mohammad Shamsul Ola Aicha Laouani Kenza Kadi Antonio Ignacio Martín-García Ahmad Ali Anti-Cholinergic Effects of the Phenolic Extract from the <i>Astragalus crenatus</i> Plant: A Computational and Network Pharmacology Study Pharmaceuticals <i>Astraglus crenatus</i> Schult. Alzheimer’s disease acetylcholinesterase butyrylcholinesterase molecular docking network pharmacology |
| title | Anti-Cholinergic Effects of the Phenolic Extract from the <i>Astragalus crenatus</i> Plant: A Computational and Network Pharmacology Study |
| title_full | Anti-Cholinergic Effects of the Phenolic Extract from the <i>Astragalus crenatus</i> Plant: A Computational and Network Pharmacology Study |
| title_fullStr | Anti-Cholinergic Effects of the Phenolic Extract from the <i>Astragalus crenatus</i> Plant: A Computational and Network Pharmacology Study |
| title_full_unstemmed | Anti-Cholinergic Effects of the Phenolic Extract from the <i>Astragalus crenatus</i> Plant: A Computational and Network Pharmacology Study |
| title_short | Anti-Cholinergic Effects of the Phenolic Extract from the <i>Astragalus crenatus</i> Plant: A Computational and Network Pharmacology Study |
| title_sort | anti cholinergic effects of the phenolic extract from the i astragalus crenatus i plant a computational and network pharmacology study |
| topic | <i>Astraglus crenatus</i> Schult. Alzheimer’s disease acetylcholinesterase butyrylcholinesterase molecular docking network pharmacology |
| url | https://www.mdpi.com/1424-8247/17/3/348 |
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