Characterization of essential oil and in silico modelling perspectives of thyme (Thymus eigii M. Zohary et P.H. Davis) jalas species
Öz
In recent years, the use of herbal medicines has increased, including the use of aromatic plants and plants used for their therapeutic properties. To meet this ever-increasing demand, the quantity of active compounds extracted from medicinal plants must be significantly determined. For this study, plant samples of thyme (Thymus eigii M. Zohary et P.H. Davis) were collected from Amanos Mountain in the province of Hatay. Hydrodistillation was utilized to extract the essential oil from the aboveground portion of the plant, and Gas chromatography-mass spectrometry (GC-MS) was utilized to analyze the essential oil's constituents. As a consequence of the analysis, twenty-one components of essential oils were identified. The principal components were determined as Gamma-terpinene (27.49%), Carvacrol (27.38%), and P-cymene (14.40%). The mechanism of action of the major monoterpenes that reveal H-bonded interactions with the structure of Fusarium oxysporum cutinase was investigated using molecular modeling techniques, and the lowest binding energies were calculated using these techniques. The presented findings are likely to pave the way for future research on phytotherapeutic compounds derived from common thyme plants.
Anahtar Kelimeler
essential oil component, medicinal plant, molecular modelling, molecular docking, pathogen
Kaynakça
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