Publication: GC-MS/MS Quantification of EGFR Inhibitors, β-Sitosterol, Betulinic Acid, (+) Eriodictyol, (+) Epipinoresinol, and Secoisolariciresinol, in Crude Extract and Ethyl Acetate Fraction of Thonningia sanguinea
GC-MS/MS Quantification of EGFR Inhibitors, β-Sitosterol, Betulinic Acid, (+) Eriodictyol, (+) Epipinoresinol, and Secoisolariciresinol, in Crude Extract and Ethyl Acetate Fraction of Thonningia sanguinea
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Publisher DOI
10.3390/molecules27134109
Date
2022-06-26
Type
Article
Authors
Elhady, Sameh S.
Ibrahim, Elsayed A.
Goda, Marwa S.
Nafie, Mohamed S.
Samir, Hanan
Diri, Reem M.
Alahdal, Abdulrahman M.
Thomford, Ama Kyeraa
El Gindy, Alaa
Hadad, Ghada M.
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MDPI
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https://www.mdpi.com/1420-3049/27/13/4109
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Abstract
Medicinal plants are widely used in folk medicine to treat various diseases. Thonningia sanguinea Vahl is widespread in African traditional medicine, and exhibits antioxidant, antibacterial, antiviral, and anticancer activities. T. sanguinea is a source of phytomedicinal agents that have previously been isolated and structurally elucidated. Herein, gas chromatography combined with tandem mass spectrometry (GC-MS/MS) was used to quantify epipinoresinol, β-sitosterol, eriodictyol, betulinic acid, and secoisolariciresinol contents in the methanolic crude extract and its ethyl acetate fraction for the first time. The ethyl acetate fraction was rich in epipinoresinol, eriodictyol, and secoisolariciresinol at concentrations of 2.3, 3.9, and 2.4 mg/g of dry extract, respectively. The binding interactions of these compounds with the epidermal growth factor receptor (EGFR) were computed using a molecular docking study. The results revealed that the highest binding affinities for the EGFR signaling pathway were attributed to eriodictyol and secoisolariciresinol, with good binding energies of −19.93 and −16.63 Kcal/mol, respectively. These compounds formed good interactions with the key amino acid Met 769 as the co-crystallized ligand. So, the ethyl acetate fraction of T. sanguinea is a promising adjuvant therapy in cancer treatments.
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Keywords
EGFR, Secoisolariciresinol, Eriodictyol, GC-MS/MS, Thonningia sanguinea
Citation
Elhady, S. S., Ibrahim, E. A., Goda, M. S., Nafie, M. S., Samir, H., Diri, R. M., Alahdal, A. M., Thomford, A. K., El Gindy, A., Hadad, G. M., Badr, J. M., & Abdelhameed, R. F. A. (2022). GC-MS/MS Quantification of EGFR Inhibitors, β-Sitosterol, Betulinic Acid, (+) Eriodictyol, (+) Epipinoresinol, and Secoisolariciresinol, in Crude Extract and Ethyl Acetate Fraction of Thonningia sanguinea. Molecules, 27(13), 4109. https://doi.org/10.3390/molecules27134109
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27
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13
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© 2023 by the authors. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license.