Molecules (Nov 2024)

Anti-Inflammatory and Antioxidative <i>N</i>-Acetyldopamine Dimers from Adult <i>Vespa velutina auraria</i> Smith

  • Chao-He Liu,
  • Xiu-Qing Pang,
  • Qun Yu,
  • Wei Zhang,
  • Jing-Lei Xu,
  • Yu-Chen Ma,
  • Lei Huang,
  • Geng Huang,
  • Jia-Peng Wang,
  • Huai Xiao,
  • Zhong-Tao Ding

DOI
https://doi.org/10.3390/molecules29225445
Journal volume & issue
Vol. 29, no. 22
p. 5445

Abstract

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One undescribed fatty glyceride (1), two unreported N-acetyldopamine dimers (2 and 3), and four known structurally diverse N-acetyldopamine dimers were isolated from adult Vespa velutina auraria Smith. Their structures were elucidated based on a comprehensive analysis of spectroscopic data, HRESIMS, and NMR calculations with ML_J_DP4, and the absolute configurations of 2 and 3 were determined via ECD calculations. Regarding their bioactivities, compounds 5 and 6 can inhibit the production of NO. Moreover, compounds 3, 5 and 7 showed stronger antioxidant activity than the positive control (VC) at 14 μg/mL. A network pharmacology study was used to explore the potential bioactive mechanisms. In addition, a docking study of anti-inflammatory and antioxidative compounds was also performed.

Keywords