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. 2024 Jul 1;29(13):3133.
doi: 10.3390/molecules29133133.

Analysis of Antioxidant Compounds in Vitex negundo Leaves Using Offline 2D-LC-ECD and LC-MS/MS

Qimei Wu  1 , Jinfen Zheng  1 , Yan Yu  1 , Zhirong Li  2 , Ying Li  1 , Chengfeng Hu  2 , Yaping Zhou  1 , Rongxiang Chen  2
Affiliations

Analysis of Antioxidant Compounds in Vitex negundo Leaves Using Offline 2D-LC-ECD and LC-MS/MS

Qimei Wu et al. Molecules. .

Abstract

Vitex negundo has strong antioxidant activity, but its primary antioxidant components are not clear. In this study, the antioxidant components were screened by offline two-dimensional liquid chromatography coupled with electrochemical detection (2D-LC-ECD) and subsequently assessed using liquid chromatography-tandem mass spectrometry (LC-MS/MS) identification, radical scavenging capacity, and molecular docking. Various fractions were isolated from Vitex negundo leaves, and 39 antioxidant components were screened and identified. All of the fractions containing the antioxidant components exhibited certain antioxidant activity. Correlation analysis revealed a strong correlation between the response of LC-ECD and the in vitro antioxidant activity of the fractions. Molecular docking demonstrated that components with high response to LC-ECD exhibited robust interaction with antioxidant-related target proteins. The main antioxidant components of Vitex negundo leaves were isoorientin, chlorogenic acid, agnuside, cynaroside, and scutellarin. The 2D-LC-ECD combined with LC-MS/MS was rapid and effective in screening the antioxidant components in Vitex negundo leaves and could also provide technical support for the discovery of antioxidant components with different polarities and contents in other medicinal and edible plants.

Keywords: Vitex negundo leaves; antioxidant activity; electrochemical detection; offline two-dimensional liquid chromatography; tandem mass spectrometry.

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Conflict of interest statement

The authors declare no conflicts of interest.

Figures

Figure 1
Figure 1
The 2D-LC-ECD chromatogram of Vitex negundo leaves.
Figure 2
Figure 2
Peak areas and antioxidant activities of different fractions. (A) FRAP; (B) DPPH radical scavenging activity; (C) ABTS radical scavenging activity; and (D) ORAC.
Figure 3
Figure 3
MRM chromatogram of standard solution (A) and Vitex negundo leaves (B).
Figure 4
Figure 4
Molecular docking 2D diagram. (A) isoorientin—P4502C9; (B) chlorogenic acid—topoisomerase; (C) catalase—scutellarin; (D) catalase—cynaroside; (E) casticin—topoisomerase; and (F) agnuside—topoisomerase.
See this image and copyright information in PMC

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