Journal
MOLECULES
Volume 21, Issue 2, Pages -Publisher
MDPI
DOI: 10.3390/molecules21020178
Keywords
marine natural products; Coniothyrium cereale; endophytic fungal phenalenones; conio-azasterol; S-dehydroazasirosterol; molecular docking
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The new phenalenone metabolites 1, 2, 4, and 6 were isolated from the marine-derived endophytic fungus Coniothyrium cereale, in addition to the ergostane-type sterol (3) and entatrovenetinone (5). Compounds 1 and 2 represent two unusual nitrogen-containing compounds, which are composed of a sterol portion condensed via two bonds to phenalenone derivatives. Compound 6, which contains unprecedented imine functionality between two carbonyl groups to form a oxepane -imine-dione ring, exhibited a moderate cytotoxicity against K562, U266, and SKM1 cancer cell lines. Moreover, molecular docking studies were done on estrogen receptor -ligand binding domain (ER-LBD) to compounds 1 and 2 to correlate with binding energies and affinities calculated from molecular docking to the anti-proliferative activity.
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