Chemical exploration of different extracts from
            <i>Phytolacca americana</i>
            leaves and their potential utilization for global health problems:
            <i>ın silico</i>
            and network pharmacology validation

Fahmy, Nouran M.; Fayez, Shaimaa; Zengin, Gokhan; Selvi, Selami; Uba, Abdullahi Ibrahim; Mollica, Adriano; Bouyahya, Abdelhakim; Ponniya, Sathish Kumar M.; Nilofar,; Lekmine, Sabrina; Ferrante, Claudio; Eldahshan, Omayma A.

doi:10.1080/07391102.2024.2308770

Cited by 7 publications

(1 citation statement)

References 76 publications

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“…Therefore, in this study, we investigated the potential of this plant and its constituents as a possible treatment for AD. The plant extract was subjected to LC–MS/MS analysis to identify its phenolic compounds [ 11 , 12 , 13 ]. Additionally, the in vitro anticholinesterase activity of the extract was evaluated against the acetyl and butyryl enzymes.…”

Section: Introductionmentioning

confidence: 99%

Anti-Cholinergic Effects of the Phenolic Extract from the Astragalus crenatus Plant: A Computational and Network Pharmacology Study

Lekmine,

Benslama,

Tahraoui

et al. 2024

Pharmaceuticals

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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 Astragalus crenatus 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). A. crenatus 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 Astragalus crenatus holds promise for the development of novel therapeutics aimed at neurological disorders, particularly AD.

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Section: Introductionmentioning

confidence: 99%

Anti-Cholinergic Effects of the Phenolic Extract from the Astragalus crenatus Plant: A Computational and Network Pharmacology Study

Lekmine,

Benslama,

Tahraoui

et al. 2024

Pharmaceuticals

Self Cite

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Small Steps to the Big Picture for Health‐Promoting Applications Through the Use of Chickweed (Stellaria media): In Vitro, In Silico, and Pharmacological Network Approaches

Cusumano,

Flores,

Cetiz

et al. 2024

Food Science & Nutrition

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Stellaria media L., also called chickweed, is widespread in all parts of the world. In the present study, we investigated the biological properties and chemical profiles of different extracts (ethyl acetate, ethanol, ethanol/water, and water) of S. media. The chemical profiles were examined using UHPLC/MS/MS technique. Regarding the biological properties, antioxidant properties as well as enzyme‐inhibiting and cytotoxic effects of the extracts were demonstrated by in vitro methods. To obtain further information about the structure‐ability relationship, network pharmacology and molecular docking were also performed. Twelve phenolic compounds were identified in the extracts and most of them were flavonoids (apigenin, kaempferol derivatives, etc.). The water extract showed the best free radical scavenging activity, while the ethanol was the most active in reducing power tests. When inhibiting AChE, the ethyl acetate extract showed the best inhibitory effect. The water extract has a good cytotoxic effect on HepG2 (cell viability: 33.9% at a concentration of 100 g/mL). The analysis, performed using the STRING database, included these 45 cancer‐associated targets. The identified hub genes were TP53, CDKN2A, PTEN, KRAS, and HRAS. In molecular docking analysis, acacetin‐O‐hexoside‐O‐deoxyhexoside and napigenin‐7‐O‐hexoside exhibit remarkable binding energies with proteins. Consequently, S. media can be potential raw materials for designing functional formulations in the pharmaceutical, nutraceutical, and cosmeceutical industries.

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Decoding chemical profiles and biological activities of aerial parts and roots of Eryngium thorifolium Boiss by HPLC-MS/MS, GC-MS and in vitro chemical assays

Zengin,

Yagi,

Eldahshan

et al. 2024

Food Bioscience

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Chemical exploration of different extracts from Phytolacca americana leaves and their potential utilization for global health problems: ın silico and network pharmacology validation

Cited by 7 publications

References 76 publications

Anti-Cholinergic Effects of the Phenolic Extract from the Astragalus crenatus Plant: A Computational and Network Pharmacology Study

Anti-Cholinergic Effects of the Phenolic Extract from the Astragalus crenatus Plant: A Computational and Network Pharmacology Study

Small Steps to the Big Picture for Health‐Promoting Applications Through the Use of Chickweed (Stellaria media): In Vitro, In Silico, and Pharmacological Network Approaches

Decoding chemical profiles and biological activities of aerial parts and roots of Eryngium thorifolium Boiss by HPLC-MS/MS, GC-MS and in vitro chemical assays

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