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Phytochemical Content and In Silico Molecular Docking Studies of Achillea biebersteinii and A. millefolium Plants

Cilt: 5 Sayı: 2 31 Ağustos 2024
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Phytochemical Content and In Silico Molecular Docking Studies of Achillea biebersteinii and A. millefolium Plants

Öz

The genus Achillea L. belongs to Asteraceae, the largest family of vascular plants. Achillea species is a medicinal plant widely used in traditional medicine due to the bioactive compounds it contains that are widely distributed worldwide. In this study, we aimed to examine the biological activity potential of the plants by analyzing the phytochemical content of two Achillea species growing on the land of Iğdır University campus. In this study, the volatile and phenolic contents of flower, and stem-leaf parts of A. biebersteinii and A. millefolium harvested in different periods were determined by chromatographic methods (GC-MS/MS and LC-MS/MS). As a result of the GC-MS analysis, it was observed that the presence of high levels of eucalyptol (43.22%) in the A. millefolium plant and that the harvest time dramatically changed the rates of volatile components in the A. biebersteinii plants. The LC-MS/MS analysis showed that the main constituent in all plant materials was chlorogenic acid. In addition, the main component, chlorogenic acid interactions with the xanthine oxidase enzyme were determined by in silico molecular docking. Chlorogenic acid interaction with xanthine oxidase was calculated of binding energies (-8.0 kcal/mol) and MolDock score (-130.96).

Anahtar Kelimeler

A. biebersteinii, A. millefolium, Phytochemical analysis, Chlorogenic acid, Xanthine oxidase

Destekleyen Kurum

Yüksek Öğretim Kurumu (YÖK)

Proje Numarası

YİP0723İ01

Teşekkür

The High-Value Added Agricultural Products Specialization Program, Production of Value-Added Raw Materials from Agricultural Products by Supercritical Carbon Dioxide Extraction Method (Project No: YİP0723İ01).

Kaynakça

  1. Abd-ElGawad, A., Essa, A., Taher, R., Souid, A., El-Newary, S., Sarker, T. C., El Gendy, A. E. N., Assaeed, A., Dar, B., & Elshamy, A. (2024). Chemical components and antioxidant potential of essential oil of Rhanterium epapposum growing in sandy habitat in Saudi Arabia: In silico study on cytochrome P450 1A1 and xanthine oxidase. Journal of Essential Oil Bearing Plants, 27. https://doi.org/10.1080/0972060X.2024.2358894
  2. Arabaci, T. (2012). Achillea hamzaoglui (Asteraceae), a New Species from Turkey. Annales Botanici Fennici, 46, 459-463. https://doi.org/10.5735/085.046.0516
  3. Bariş, Ö., Güllüce, M., Sahin, F., Ozer, H., Kilic, H., Özkan, H., Sökmen, M., & Özbek, T. (2006). Biological activities of the essential oil and methanol extract of Achillea biebersteinii Afan. (Asteraceae). Turkish Journal of Biology, 30, 65-73.
  4. Başar, Y., Yenigün, S., İpek, Y., Behçet, L., Gül, F., Özen, T., & Demirtaş, İ. (2023). DNA protection, molecular docking, enzyme inhibition and enzyme kinetic studies of 1,5,9-epideoxyloganic acid isolated from Nepeta aristata with bio-guided fractionation. J Biomol Struct Dyn, 1-14. https://doi.org/10.1080/07391102.2023.2250461
  5. Başar, Y., Yenigün, S., Gül, F., Özen, T., Demirtas, I., Mehmet, A., & Temel, S. (2024). Phytochemical profiling, molecular docking and ADMET prediction of crude extract of Atriplex nitens Schkuhr for the screening of antioxidant and urease inhibitory. International Journal of Chemistry and Technology, 8. https://doi.org/10.32571/ijct.1389719
  6. Bremer, K. r. (1993). Generic monograph of the Asteraceae-Anthemideae. Bulletin of the Natural History Museum. Botany series, 23(2), 71-177. https://www.biodiversitylibrary.org/part/224587
  7. Candan, F., Unlu, M., Tepe, B., Daferera, D., Polissiou, M., Sökmen, A., & Akpulat, H. A. (2003). Antioxidant and antimicrobial activity of the essential oil and methanol extracts of Achillea millefolium subsp. millefolium Afan. (Asteraceae). J Ethnopharmacol, 87(2-3), 215-220. https://doi.org/10.1016/s0378-8741(03)00149-1
  8. Candan, F., Unlu, M., Tepe, B., Daferera, D., Polissiou, M., Sökmen, A., & Akpulat, H. A. (2003). Antioxidant and antimicrobial activity of the essential oil and methanol extracts of Achillea millefolium subsp. millefolium Afan. (Asteraceae). Journal of Ethnopharmacology, 87(2), 215-220. https://doi.org/https://doi.org/10.1016/S0378-8741(03)00149-1
  9. Demirci, M. A., Ipek, Y., Gul, F., Ozen, T., & Demirtas, I. (2018). Extraction, isolation of heat-resistance phenolic compounds, antioxidant properties, characterization and purification of 5-hydroxymaltol from Turkish apple pulps. Food Chem, 269, 111-117. https://doi.org/10.1016/j.foodchem.2018.06.147
  10. Granger, D. N., Höllwarth, M. E., & Parks, D. A. (1986). Ischemia-reperfusion injury: role of oxygen-derived free radicals. Acta Physiol Scand Suppl, 548, 47-63.

Kaynak Göster

APA
Gül, F., Başar, Y., & Demirtas, İ. (2024). Phytochemical Content and In Silico Molecular Docking Studies of Achillea biebersteinii and A. millefolium Plants. Journal of Integrative and Anatolian Medicine, 5(2), 10-24. https://doi.org/10.53445/batd.1513403
AMA
1.Gül F, Başar Y, Demirtas İ. Phytochemical Content and In Silico Molecular Docking Studies of Achillea biebersteinii and A. millefolium Plants. J. Integr. Anatol. Med. 2024;5(2):10-24. doi:10.53445/batd.1513403
Chicago
Gül, Fatih, Yunus Başar, ve İbrahim Demirtas. 2024. “Phytochemical Content and In Silico Molecular Docking Studies of Achillea biebersteinii and A. millefolium Plants”. Journal of Integrative and Anatolian Medicine 5 (2): 10-24. https://doi.org/10.53445/batd.1513403.
EndNote
Gül F, Başar Y, Demirtas İ (01 Ağustos 2024) Phytochemical Content and In Silico Molecular Docking Studies of Achillea biebersteinii and A. millefolium Plants. Journal of Integrative and Anatolian Medicine 5 2 10–24.
IEEE
[1]F. Gül, Y. Başar, ve İ. Demirtas, “Phytochemical Content and In Silico Molecular Docking Studies of Achillea biebersteinii and A. millefolium Plants”, J. Integr. Anatol. Med., c. 5, sy 2, ss. 10–24, Ağu. 2024, doi: 10.53445/batd.1513403.
ISNAD
Gül, Fatih - Başar, Yunus - Demirtas, İbrahim. “Phytochemical Content and In Silico Molecular Docking Studies of Achillea biebersteinii and A. millefolium Plants”. Journal of Integrative and Anatolian Medicine 5/2 (01 Ağustos 2024): 10-24. https://doi.org/10.53445/batd.1513403.
JAMA
1.Gül F, Başar Y, Demirtas İ. Phytochemical Content and In Silico Molecular Docking Studies of Achillea biebersteinii and A. millefolium Plants. J. Integr. Anatol. Med. 2024;5:10–24.
MLA
Gül, Fatih, vd. “Phytochemical Content and In Silico Molecular Docking Studies of Achillea biebersteinii and A. millefolium Plants”. Journal of Integrative and Anatolian Medicine, c. 5, sy 2, Ağustos 2024, ss. 10-24, doi:10.53445/batd.1513403.
Vancouver
1.Fatih Gül, Yunus Başar, İbrahim Demirtas. Phytochemical Content and In Silico Molecular Docking Studies of Achillea biebersteinii and A. millefolium Plants. J. Integr. Anatol. Med. 01 Ağustos 2024;5(2):10-24. doi:10.53445/batd.1513403