Simultaneous Determination of Multiple Constituents, Serum Composition, and Lung Tissue Distribution of Shegan Mahuang Decoction using Ultra-High Performance Liquid Chromatography-quadrupole-orbitrap High-Resolution Mass Spectrometry.

INTRODUCTION

The original formula of Shegan Mahuang Decoction (SMD) is composed of 9 herbs. It has the function of expelling phlegm, lowering qi, and relieving cough. The chemical composition of this formula is complex, and the research has not been completed.

METHOD: In this experiment, the ultra-high performance liquid chromatography-quadrupole- Orbitrap high-resolution mass spectrometry (UHPLC-Q-Orbitrap HRMS) technology on the Compound Discoverer 3.3 platform was applied to identify and classify the chemical components of SMD, as well as the prototype and metabolic components in serum and lung tissue of normal Sprague-Dawley rats.

RESULTS

The 104 chemical components were identified in vitro, including 28 flavonoids, 31 organic acids, 2 alkaloids, 9 glycosides, and 32 other types of constituents, and the 10 components were detected in serum and lung tissue. Tectoridin and ephedrine were first identified as the main chemical components of SMD and are distributed in both serum and lung tissue.

DISCUSSION: The identification of SMD components in both in vitro and in vivo samples highlights the potential active compounds responsible for its pharmacological effects. These findings provide insights into the material basis of SMD in asthma treatment and support the mechanistic exploration of TCM formulations using modern analytical techniques. Furthermore, the data offer a foundation for future pharmacokinetic and pharmacodynamic studies of key SMD constituents.

CONCLUSION

This study provides the first comprehensive analysis and identification of the chemical composition of SMD based on UHPLC-Q-Orbitrap HRMS, which provides a new way to further explore the material basis of SMD in the treatment of asthma and the research and development of innovative traditional Chinese medicine compound drugs under the guidance of traditional Chinese medicine theory.