Quality Control of Shenqi Tongmai Oral Liquid Based on Quantitative Analysis of Multicomponents by Single Marker, Molecular Docking, and Multivariate Statistics.

Abstract

Introduction: Shenqi Tongmai oral liquid (SQTM) is famous for its remarkable effect in the treatment of cardiovascular diseases. However, the SQTM quality evaluation system has not been established.

Objective: The objective of this study is to establish a method for the determination of nine components of SQTM and to screen quality control indicators to comprehensively evaluate the quality of SQTM.

Methods: The fingerprints of SQTM were established, and the contents of nine components in 17 batches of SQTM were determined based on quantitative analysis of multicomponents by single marker (QAMS). The antioxidant activity of samples was determined by the DPPH method and hydroxyl method, and the correlation between the content of nine components and antioxidant activity was analyzed by gray relational analysis (GRA), bivariate correlation analysis (BCA), and partial least squares regression (PLSR). The antioxidant activity of the monomers was confirmed through molecular docking techniques and in vitro experiments.

Results: There was no significant difference in the content between the QAMS method and the external standard method (p > 0.05). The findings from multivariate statistics, molecular docking, and in vitro validation indicated that rosmarinic acid, luteolin, and protocatechualdehyde exhibited significant antioxidant activities, which were important pharmacodynamic components that exerted antioxidant effects and could serve as quality markers (Q-Markers).

Conclusion: The study elucidated the Q-Markers of SQTM and provided a relatively comprehensive approach for the assay of SQTM, which is a promising advance in the quality control of SQTM.