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Theionbrunonines A and B: Dimeric Vobasine Alkaloids Tethered by a Thioether Bridge from Mostuea brunonis.

Elvis Otogo N'NangGuillaume BernadatElisabeth MourayBrice KumulunguiPhilippe GrellierErwan PouponPierre ChampyMehdi A Beniddir
Published in: Organic letters (2018)
Theionbrunonines A and B (1 and 2), the first examples of monoterpene bisindole alkaloids linked by a thioether bridge, were isolated from the stems of Mostuea brunonis, guided by a molecular networking-based dereplication strategy. Their structures were elucidated by a combination of spectroscopic data and ECD calculations. A plausible biosynthetic pathway for 1 and 2 was postulated. Theionbrunonines A and B (1 and 2) showed moderate antiplasmodial activities in the micromolar range against the strain FcB1 of Plasmodium falciparum and no cytotoxic activity against the MRC-5 cell line at 20 μM.
Keyphrases
  • plasmodium falciparum
  • molecular docking
  • density functional theory
  • molecular dynamics simulations
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  • single molecule
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