Publication: Phytochemical Characterization and Heavy Metal and Thermal Analyses of Saussurea hypoleuca Root and Evaluation of Its Anthelmintic and Antioxidant Activity In Vitro and In Silico
Phytochemical Characterization and Heavy Metal and Thermal Analyses of Saussurea hypoleuca Root and Evaluation of Its Anthelmintic and Antioxidant Activity In Vitro and In Silico
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Publisher DOI
10.3390/separations9060138
Date
2022-05-30
Type
Article
Authors
Elhady, Sameh S.
Arshad, Numera
Ishtiaq, Saiqa
Bayram, Roula
Amin, Adnan
Bogari, Hanin A.
Youssef, Fadia S.
Ashour, Mohamed L.
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MDPI
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https://www.mdpi.com/2297-8739/9/6/138
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Abstract
Phytochemical characterization of the ethyl acetate fraction of Saussurea hypoleuca root extract resulted in the isolation of oleic acid (1) and luteolin (2), which were isolated for the first time from Saussurea hypoleuca root. A heavy metal analysis of the root powder performed using atomic absorption spectroscopy showed that the contents of iron, cadmium, lead, zinc, nickel, and copper were within the certified limits according to the WHO guidelines. Differential scanning calorimetry (DSC) revealed its crystalline and amorphous nature; meanwhile, standardization of the root with UHPLC revealed the presence of 14.79 ± 0.015 µg/mL of luteolin. Both the total methanol extract and the ethyl acetate fraction of the plant root held significant anthelmintic activity. Oleic acid and luteolin exhibited potent antioxidant activity, evidenced by their IC50 values, which were equal to 47.0 and 119.8 µg/mL, respectively, in a 2,2-diphenyl-1-picrylhydrazyl (DPPH) scavenging assay. In silico studies showed that luteolin exerted the highest fitting within the binding sites of NADPH oxidase (Nox). For myeloperoxidase (MP), oleic acid revealed the best fitting in its active sites. The results of ADMET (absorption, distribution, metabolism, excretion, and toxicity) and TOPKAT (toxicity prediction) protocols revealed acceptable pharmacodynamic and pharmacokinetic characteristics, in addition to reasonable toxicity characteristics for both compounds. Thus, they can be incorporated into pharmaceutical dosage forms to combat oxidative stress.
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Keywords
ADME and TOPKAT, Anthelmintic activity, Antioxidant activity, Molecular docking, Saussurea hypoleuca, Spectroscopic analysis, Thermal analysis
Citation
Elhady, S. S., Arshad, N., Ishtiaq, S., Bayram, R., Amin, A., Bogari, H. A., Abdelhameed, R. F. A., Youssef, F. S., & Ashour, M. L. (2022). Phytochemical Characterization and Heavy Metal and Thermal Analyses of Saussurea hypoleuca Root and Evaluation of Its Anthelmintic and Antioxidant Activity In Vitro and In Silico. Separations, 9(6), 138. https://doi.org/10.3390/separations9060138
Journal Title
Separations
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Volume
9
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6
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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.