Anti-Inflammatory and Antioxidative N-Acetyldopamine Dimers from Adult Vespa velutina auraria Smith

• Published in: Molecules (Basel, Switzerland) Vol. 29; no. 22; p. 5445
• Main Authors: Liu, Chao-He, Pang, Xiu-Qing, Yu, Qun, Zhang, Wei, Xu, Jing-Lei, Ma, Yu-Chen, Huang, Lei, Huang, Geng, Wang, Jia-Peng, Xiao, Huai, Ding, Zhong-Tao
• Format: Journal Article
• Language: English
• Published: Switzerland MDPI AG 01.11.2024; MDPI
• Subjects: Animals; anti-inflammatory; Anti-Inflammatory Agents - chemistry; Anti-Inflammatory Agents - pharmacology; Anti-inflammatory drugs; antioxidant; Antioxidants; Antioxidants - chemistry; Antioxidants - pharmacology; Chromatography; Dimerization; Dopamine - analogs & derivatives; Dopamine - chemistry; Dopamine - metabolism; Mice; Molecular Docking Simulation; Molecular Structure; Monoglycerides; N-acetyldopamine dimers; Nitric Oxide - metabolism; Plant Extracts - chemistry; Plant Extracts - pharmacology; RAW 264.7 Cells; veslumide; Vespa velutina auraria Smith; China; Vespa velutina auraria Smith; anti-inflammatory; antioxidant; N-acetyldopamine dimers; veslumide
• ISSN: 1420-3049; 1420-3049
• DOI: 10.3390/molecules29225445

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.