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. 2022 Mar 9:2022:7763207.
doi: 10.1155/2022/7763207. eCollection 2022.

Qualitative and Quantitative Evaluation of Chemical Constituents from Shuanghuanglian Injection Using Nuclear Magnetic Resonance Spectroscopy

Ziyan Wang  1 , Zuoyuan Wang  1 , Miaomiao Jiang  1 , Jing Yang  1 , Qingfen Meng  2 , Jianli Guan  2 , Maoling Xu  3 , Xin Chai  1
Affiliations

Qualitative and Quantitative Evaluation of Chemical Constituents from Shuanghuanglian Injection Using Nuclear Magnetic Resonance Spectroscopy

Ziyan Wang et al. J Anal Methods Chem. .

Abstract

By employing nuclear magnetic resonance (NMR), we implemented a chemical research on Shuanghuanglian injection (SHLI) and identified 17 components, including eight primary metabolites and nine secondary metabolites. Guided by the approach of network pharmacology, the potential activities were briefly predicted for seven primary metabolites except for formic acid, such as anti-inflammation, antioxidation, and cardiovascular protection. The focused primary metabolites were quantified by a proton nuclear magnetic resonance (1H-NMR) method, which was verified with good linearity and satisfactory precision, repeatability, stability, and accuracy (except for myo-inositol with mean recovery at 135.78%). Based on the successfully established method, seven primary metabolites were effectively quantified with a slight fluctuation in 20 batches of SHLIs. The average total content of these compounds was 6.85 mg/mL, accounting for 24.84% in total solid of SHLI. This research provides an alternative method for analysis of primary metabolites and contributes to the quality control of SHLI.

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Conflict of interest statement

The authors declare that there are no conflicts of interest regarding the publication of this article.

Figures

Figure 1
Figure 1
Representative 1H-NMR spectrum of SHLI from δ 0.0 to 10.0 (a), enlarged spectrum between δ 0.8 and 3.0 (b), from δ 3.0 to 5.5 (c), and in the range of δ 6.0 and 9.0 (d). TSP-d4 as an internal standard with a chemical shift at 0.0 ppm. Characteristic signal peaks of 17 metabolites: 1 valine; 2 glucose; 3 fructose; 4 mannose; 5 sucrose; 6 formic acid; 7 succinic acid; 8 myo-inositol; 9 chlorogenic acid; 10 neochlorogenic acid; 11 cryptochlorogenic acid; 12 caffeic acid; 13 forsythoside A; 14 isoforsythiaside A; 15 forsythoside E; 16 baicalin; 17 secoxyloganin.
Figure 2
Figure 2
Chemical structures of 17 components in SHLI.
Figure 3
Figure 3
The key HSQC correlations of the identified components in HSQC spectrum of SHLI.
Figure 4
Figure 4
Parallel coordinate plot for the ingredients-targets-pathways-activities network of the focused primary metabolites from SHLI.
Figure 5
Figure 5
Boxplot for the quantitative analysis (a) and double-Y plot for the total content and content percentage (b) of seven primary metabolites in 20 batches SHLIs (n = 3).
See this image and copyright information in PMC

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