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

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).