Background and objectives: Essential oils are used for controlling and preventing human diseases and the application of those can often be quite safe and effective with no side effect. The essential oils have been found to have antiparasitic, antifungal, antiviral, antioxidant and especially antibacterial activity including antibacterial activity against tuberculosis. In this study the chemical composition and anti-TB activity of essential oil extracted from Levisticum officinale has been evaluated.
Materials and methods: The essential oil of L. officinale was obtained by the hydro distillation method and the oil was analyzed by GC-FID and GC-MS techniques. The antibacterial activity of essential oil was evaluated through Minimum Inhibitory Concentration (MIC) assay using micro broth dilution method against multidrug-resistant Maycobacterium tuberculosis. The molecular modeling of major compounds was evaluated through molecular docking using Auto Dock Vina against-2-trans-enoyl-ACP reductase (InhA) as key enzyme in M. tuberclosis cell wall biosynthesis.
Results: The hydrodistillation on aerial parts of L. officinale yielded 2.5% v/w of essential oil. The major compounds of essential oil were identified as α-terpinenyl acetate (52.85%), β- phellandrene (10.26%) and neocnidilide (10.12%). The essential oil showed relatively good anti-MDR M. tuberculosis with MIC = 252 μg/ml. The results of Molecular Docking showed that affinity of major compounds was comparable to isoniazid.
Conclusion: The essential oil of aerial parts extracted from L. officinale was relatively active against MDR M. tuberculosis, and molecular docking showed the major compounds had high affinity to inhibit 2-trans-enoyl-acyl carrier protein reductase (InhA) as an important enzyme in M. tuberculosis cell wall biosynthesis.
Keywords: Essential oil; Levisticum officinale; Molecular modeling; Multidrug-resistant-Mycobacterium tuberculosis.