Kekik (Thymus eigii M. Zohary Et P.H. Davis) Jalas Türünün Uçucu Yağının Karakterizasyonu ve in silico Modelleme Perspektifi

Öz

Son yıllarda, aromatik bitkilerin ve tedavi edici özellikleri için kullanılan bitkilerin kullanımını içeren bitkisel ilaçların kullanımında bir artış olmuştur. Her geçen gün artan bu talebi karşılayabilmek için tıbbi bitkilerden elde edilen aktif bileşiklerin miktarının belirlenmesine önemli bir ihtiyaç duyulmaktadır. Bu araştırma için Hatay ili Amanos Dağı'ndan kekik (Thymus eigii M. Zohary et P.H. Davis) bitki örnekleri toplanmıştır. Bitkinin yer üstü kısmından uçucu yağı çıkarmak için hidrodistilasyon yöntemi kullanıldı ve uçucu yağın bileşenlerini analiz etmek için bir Gaz kromatografisi-kütle spektrometresi (GC-MS) kullanılmıştır. Yapılan analizler sonucunda 21 adet uçucu yağ bileşeni tespit edilmiştir. En yüksekler arasından ana bileşenler olarak Gamma-terpinene (%27.49), Carvacrol (%27.38) ve P-cymene (%14.40) belirlenmiştir. Fusarium oxysporum kütinaz yapısı ile H-bağlı etkileşimleri ortaya çıkaran başlıca monoterpenlerin etki mekanizması moleküler modelleme teknikleri kullanılarak araştırılmış ve bu yöntemler kullanılarak da en düşük bağlanma enerjileri hesaplanmıştır. Verilen bulguların, yaygın kekik bitkilerinden fitoterapötik bileşikler oluşturmaya yönelik gelecekteki araştırmaların yolunu açması olasıdır.

Anahtar Kelimeler

• uçucu yağ bileşeni
• tıbbi bitki
• moleküler modelleme
• moleüler bağlanma
• patojen

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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