Phytochemical Characterization, Antifungal Activity and Docking Investigation of The Isolated Compounds from Lippia callicarpifolia

Bioassay-guided fractionation of extracts of aerial parts from Lippia callicarpifolia via chromatographic techniques led to the isolation of two D:C-friedours-7-ene compounds, namely D:C-3-oxofriedours-7-en-28-oic acid (1) and a new callicarpifolic acid (2).Furthermore, additional known compounds, sitosterol glucoside (3) and genkwanin (4) were also identified.The structures of the natural products were established by 1D and 2D NMR, IR, and spectrometric analyses.In the antifungal assays, Fusarium sporotrichioides NRLL was sensitive to compounds 1 and 4 in the concentration range of 0.25-1 mg/mL.The docking investigation revealed high inhibition of the trichodiene synthase enzyme by compound 4.