Chemical Variations among Shengmaisan-Based TCM Patent Drugs by Ultra-High Performance Liquid Chromatography Coupled with Hybrid Quadrupole Orbitrap Mass Spectrometry.

Lulu Xu,Xue Qiao,Ming Xiong,Yungang Tian,Yuan Wang,Zhanpeng Shang,Min Ye,Dilaram Nijat

doi:10.3390/molecules26134000

Lulu Xu, Xue Qiao + Show 6 more

Open Access

https://doi.org/10.3390/molecules26134000

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Abstract

Shengmaisan (SMS) is a famous traditional Chinese medicine (TCM) formula to treat coronary heart diseases. It has been developed into several TCM patent drugs to meet the demands of different patients. In this study, a research strategy was proposed to reveal the chemical variations among four SMS-based patent drugs, including Shengmai Oral Solution (Shengmaiyin, SMY), Shengmai Capsule (Shengmai Jiaonang, SMJN), Yiqi Fumai Injection (YQFMI), and Yiqi Fumai Capsule (Yiqi Fumai Jiaonang, YQJN). Firstly, 227 compounds were tentatively identified using an Orbitrap-MS in the full scan/dd-MS2 mode. Secondly, untargeted metabolomics analysis suggested that ginsenosides, steroidal saponins, and lignans were the main types of differential compounds for the four patent drugs. Finally, the contents of 25 compounds were simultaneously determined in 30 batches of samples in the parallel reaction monitoring (PRM) mode. Partial least squares discriminant analysis (PLS-DA) revealed the contents of ginsenosides Re, Rg1, Rb1, Ro, and Rg3, and schisandrin showed the highest intergroup variations. These compounds were chemical markers to differentiate the SMS-based patent drugs.

Highlights

Traditional Chinese medicines (TCMs) are mainly used in clinical practice in the form of formulas [1]
We developed a three-step strategy to reveal the chemical variations among the four SMS-based patent drugs
The WWZ lignans usually contain methoxyl groups and, could generate a neutral loss (NL) of 15.0238 Da corresponding to a methyl radical (.CH3) in tandem mass spectrometry [17]

Summary

Introduction

Traditional Chinese medicines (TCMs) are mainly used in clinical practice in the form of formulas [1]. The contents of bioactive compounds in different Gegen Qinlian patent drugs varies significantly [6] Due to their complex chemical composition, clarification of chemical variation of patent drugs derived from the same TCM formula has been a big challenge. To facilitate use for different patients, SMS has been developed into Shengmai Oral Solution (Shengmaiyin, SMY), Shengmai Capsule (Shengmai Jiaonang, SMJN), Yiqi Fumai Injection (YQFMI), and Yiqi Fumai Capsule (Yiqi Fumai Jiaonang, YQJN). Their chemical compositions may vary remarkably due to different manufacturing techniques and different proportions of component drugs (Table S1). It is necessary to clarify the chemical variations among these patent drugs

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Results

Conclusion