Antifungal Activity and Molecular Docking Studies with Sesquiterpenoids from Daucus carota
2017
Kataria, D | Chahal, KK | Kumar, A. | Singh, R.
GCMS analysis of carrot (Daucus carota) seed essential oil obtained by hydrodistillation revealed the presence of 51 compounds. Carotol (52.73 per cent) was the major compound whereas daucene (5.68 per cent), daucol (5.10 per cent), β-farnesene (5.40 per cent), β-elemene (3.23 per cent) and β-cubebene (3.19 per cent) were the minor compounds present. Carotol, daucol and daucene were isolated by column chromatography from the essential oil. Chemical derivatizations of carotol with mercuric acetate/sodium borohydride, dry hydrochloric acid gas, acetonitrile/sulphuric acid, N-bromosuccinimide, selenium dioxide/t-butyl hydrogen peroxide and phenol were carried out. Structure elucidation of the compounds was carried out using FTIR, ¹H NMR and ¹³C NMR spectroscopic techniques. Carrot seed oil, isolated compounds and derivatives of carotol were screened in vitro for their antifungal potential at different concentrations against Alternaria triticina, Bipolaris sorokiniana and Ustilago segetum tritici using spore germination inhibition technique. Docking studies were carried out in order to establish the structure activity relationship of carotol and its derivatives for antifungal activity. All the compounds showed fairly good antifungal activity against the tested fungi
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