Phytochemical Content and In Silico Molecular Docking Studies of Achillea biebersteinii and A. millefolium Plants
Author:
Gül Fatih1ORCID, Başar Yunus2ORCID, Demirtas İbrahim3ORCID
Affiliation:
1. IĞDIR ÜNİVERSİTESİ, IĞDIR MESLEK YÜKSEKOKULU 2. IĞDIR ÜNİVERSİTESİ 3. IGDIR UNIVERSITY
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).
Funder
Yüksek Öğretim Kurumu
Publisher
University of Health Science
Reference23 articles.
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
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