1. Six new sesquineolignans from the stems of Akebia quinate and their diacylglycerol acyltransferase activity.
- Author
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Xu, Wen-Hui, Jiang, Yi-Ran, Bei, Tian-Tian, Xiao, Ying-Xiao, Gao, Yuan, Xu, Hao, Wu, Xue-Feng, Lee, Hyun-Sun, and Cui, Long
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COMPUTER-assisted molecular modeling , *PLANT stems , *PHYTOCHEMICALS , *LIGNANS , *MOLECULAR structure , *TRANSFERASES - Abstract
Six new sesquineolignans (1–6), have been isolated and elucidated from the stems of Akebia quinate together with five known analogues (7–11). Their structures were elucidated on the basis of comprehensive analysis of UV, IR, NMR, HRESIMS and CD spectroscopy experiments. All the isolates were evaluated for in vitro inhibitory activity against DGAT1 and DGAT2. Among them, compounds 1–11 were found to exhibit selective inhibitory activity on DGAT1 with IC 50 values ranging from 60.4 ± 1.3 to 84.6 ± 1.3 μM. Besides, the potential binding sites of 1 were predicted by molecular docking. [Display omitted] • Six new sesquilignans (1–6) were isolated from the stems of Akebia quinate for the first time. • Structures of the new compounds (1–6) were elucidated by NMR, HRESIMS, and CD spectroscopy experiments. • The relationship between DGAT activity and chemical structure was discussed in detail. • Molecular docking results showed the compound 1 exhibited good binding affinities toward DGAT1. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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