Chemical profile, antituberculosis, DSC, and molecular docking studies of essential oil.

The volatile profile of was observed using GC-MS, GC-FID, FT-IR and CNMR. Twenty-two constituents were found to be present in this essential oil, accounting 96.04 (%) of total essential oil and oxegenated monoterpenes were major class of compounds. The key constituents of this essential oil were pieritenone oxide (45.9%), piperitone (17.5%), beta caryophyllene (10.2%), and Germacrene D (5.0%). FT-IR showed peak at 1669 and 1707 cm which may be due to the presence of carbonyl groups. Among the tested compounds, Germacrene D showed highest binding affinity value of -6.8 kcal mol and a pKi value of 6.01. The dsc studies revealed that boiling point of this EO is above 200 °C. Microplate Alamar Blue assay (MABA) was carried out for the assessment of antimycobacterial activity using isoniazid and nicotinic as reference compound and oil was found to be active within conc. range of 0.8-1.6 μg/mL against mycobacterium tuberculosis, hence can act as a potential candidate against antituberculosis.