Abstract
The MolNetEnhancer workflow was applied to molecular networking analysis of the CH2Cl2-soluble fraction of the rhizomes of Curculigo orchioides, which showed a potent inhibitory effect on the lipopolysaccharide (LPS)-induced nitric oxide production. Among the molecular network, clusters of cycloartane-type triterpenoids were classified using the ClassyFire module of MolNetEnhancer, and their structures were predicted by the in silico fragment analysis tool, Network Annotation Propagation (NAP). Using mass spectrometry (MS)-guided isolation methods, six cycloartane-type triterpenoids (1-6) were isolated, and their structures were elucidated based on the interpretation of NMR, HRESIMS, and single-crystal X-ray diffraction. Among the isolates, compounds 1 and 4, which have an α,β-unsaturated carbonyl moiety on the A-ring, exhibited significant inhibitory effects on LPS-induced nitric oxide production in RAW264.7 cells with IC50values of 12.4 and 11.8 μM, respectively.
Original language | English |
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Pages (from-to) | 26853-26862 |
Number of pages | 10 |
Journal | ACS Omega |
Volume | 7 |
Issue number | 30 |
DOIs | |
Publication status | Published - 2022 Aug 2 |
Bibliographical note
Funding Information:This study was supported by a National Research Foundation of Korea (NRF) grant funded by the Korean government (MIST) (No. 2020R1A2C1008406). The authors wish to thank the Korea Basic Science Institute for the NMR spectroscopic measurements.
Publisher Copyright:
© 2022 American Chemical Society. All rights reserved.
ASJC Scopus subject areas
- Chemistry(all)
- Chemical Engineering(all)