Phytochemical profiling, molecular docking and ADMET prediction of essential oil of Ocimum basilicum
Yazarlar (4)
Yunus Başar Iğdır Üniversitesi, Türkiye
Mesut Gök Siirt Üniversitesi, Türkiye
Prof. Dr. Ramazan ERENLER Tokat Gaziosmanpaşa Üniversitesi, Türkiye
Prof. Dr. İbrahim Demirtaş Ondokuz Mayıs Üniversitesi, Türkiye
| Makale Türü |
Özgün Makale
(SCOPUS dergilerinde yayınlanan tam makale)
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| Dergi Adı | International Journal of Secondary Metabolite | ||
| Dergi ISSN | 2148-6905 Dergi Bilgileri (2025) | ||
| Dergi Tarandığı Indeksler | Scopus | ||
| Makale Dili | İngilizce | Basım Tarihi | 02-2025 |
| Cilt / Sayı / Sayfa | 12 / 1 / 146–157 | DOI | 10.21448/ijsm.1441857 |
| Makale Linki | https://doi.org/10.21448/ijsm.1441857 | ||
| UAK Araştırma Alanları |
Organik Kimya
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| Özet |
| Essential oils are widely used in pharmacology, cosmetics, and food industries, and they also have biological activities such as antioxidant, anti-inflammatory, anti-rheumatic, and antimicrobial. Ocimum basilicum (basil) plant has a rich content of essential oils. Hence, the stem, leaf, and flower parts of the O. basilicum were analyzed freshly on the RSH/GC-MS device to determine the essential oil content. As a result of the analysis, α-elemene, linalool, and eucalyptol were detected as the main components. It was observed that the highest linalool content was in the flower part at 47.85%, and the eucalyptol content was in the leaf part at 44.00%. Additionally, it was determined that the α-elemene content was highest in the flower part with 12.49%. According to the analysis results, high amounts of linalool, eucalyptol, and α-elemene were detected. The inhibitory properties of these compounds against the DNA gyrase enzyme were investigated by molecular docking. MolDock score (-78.72, -47.50, -88.86) and binding energy (2.9, 4.6, 4.0 kcal/mol) of linalool, eucalyptol, and α-elemene compounds were determined respectively. According to the ADME/T properties of the molecules examined; The α-elemene did not show any toxic effects. As a result, the eucalyptol compound may be used as an inhibitor against the DNA gyrase enzyme. In addition, it can contribute to the economy by obtaining essential oils from the non-consumable flowers and stem parts of the basil plant and increasing its usability in industries such as cleaning, cosmetics, etc. |
| Anahtar Kelimeler |
| Ocimum basilicum | DNA gyrase | Essential oils | MolDock | ADME/T |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Scopus | 4 |
| Google Scholar | 8 |
| TR Dizin | 1 |