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

Fatih Gül; Yunus Başar; İbrahim Demirtas

doi:10.53445/batd.1513403

EN TR

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

Abstract

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).

Keywords

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

Achillea biebersteinii ve A. millefolium Bitkilerinin Fitokimyasal İçeriği ve In Silico Moleküler Doking Çalışmaları

Abstract

Achillea L. cinsi, damarlı bitkilerin en büyük familyası olan Asteraceae familyasına aittir. Achillea türleri, dünya çapında yaygın olarak bulunan, içerdiği biyoaktif bileşikler nedeniyle geleneksel tıpta yaygın olarak kullanılan tıbbi bir bitkidir. Bu çalışmada Iğdır Üniversitesi kampüsü arazisinde yetişen iki Achillea türünün fitokimyasal içeriğini analiz ederek bitkilerin biyolojik aktivite potansiyelini incelemeyi amaçladık. Bu çalışmada, farklı dönemlerde hasat edilen A. biebersteinii ve A. millefolium'un çiçek, gövde-yaprak kısımlarının uçucu ve fenolik içerikleri kromatografik yöntemlerle (GC-MS/MS ve LC-MS/MS) belirlendi. GC-MS analizi sonucunda A. millefolium bitkisinde yüksek düzeyde eucalyptol (%43.22) varlığının olduğu ve hasat zamanının A. biebersteinii bitkisinde uçucu bileşenlerin oranlarını önemli ölçüde değiştiği görüldü. LC-MS/MS analizinde, tüm bitki materyallerindeki ana bileşenin klorojenik asit olduğunu gösterdi. Ayrıca ana bileşen, klorojenik asit ile ksantin oksidaz enzimi etkileşimleri, in silico moleküler yerleştirme yöntemi ile belirlendi. Ksantin oksidaz ile klorojenik asit etkileşiminin, bağlanma enerjisi (-8,0 kcal/mol) ve MolDock skoru (-130,96) hesaplandı.

Keywords

A. biebersteinii, A. millefolium, Fitokimyasal analiz, Klorojenik asit, Ksantin oksidaz

Supporting Institution

Yüksek Öğretim Kurumu (YÖK)

Project Number

YİP0723İ01

Thanks

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).

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Details

Primary Language

English

Subjects

Plant Biochemistry, Food Engineering

Journal Section

Research Article

Authors

Fatih Gül ^*
0000-0002-4297-786X
Türkiye

Yunus Başar
0000-0002-7785-3242
Türkiye

İbrahim Demirtas
0000-0001-8946-647X
Türkiye

Publication Date

August 31, 2024

Submission Date

July 9, 2024

Acceptance Date

July 31, 2024

Published in Issue

Year 2024 Volume: 5 Number: 2

DOI

https://doi.org/10.53445/batd.1513403

IZ

https://izlik.org/JA34MS65PA

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, and 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 (August 1, 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, and İ. Demirtas, “Phytochemical Content and In Silico Molecular Docking Studies of Achillea biebersteinii and A. millefolium Plants”, J. Integr. Anatol. Med., vol. 5, no. 2, pp. 10–24, Aug. 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 (August 1, 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, et al. “Phytochemical Content and In Silico Molecular Docking Studies of Achillea Biebersteinii and A. Millefolium Plants”. Journal of Integrative and Anatolian Medicine, vol. 5, no. 2, Aug. 2024, pp. 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. 2024 Aug. 1;5(2):10-24. doi:10.53445/batd.1513403