Background: Shenzao dripping pills (SZDP) is an empirical prescription of traditional Chinese medicine that is mainly used to treat coronary heart disease. However, the chemical composition and pharmacological mechanisms of SZDP are unknown. Methods: In this study, ultra-high performance liquid chromatography-quadruple-Exactive Orbitrap mass spectrometry was used to identify the chemical components in extracts and medicated plasma of SZDP. Subsequently, we performed network pharmacology methods, including target prediction by Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform and Integrative Pharmacology-based Research Platform of Traditional Chinese Medicine, protein-protein interaction network via STRING database; further, the key targets and compounds were screened using Cytoscape. Finally, the key targets and compounds were validated by molecular docking. Results: 72 chemical constituents were identified from SZDP by high performance liquid chromatography and mass spectrometry technology. Among the components absorbed into plasma by SZDP, 24 prototype components and 9 metabolized components were identified. The network pharmacology analysis of the prototype components showed that there are 13 key compounds (including ginsenoside Rc, Rb1, Rb2, ferulic acid, etc.), 90 proteins (including proto-oncogene tyrosine-protein kinase Src, nuclear receptor subfamily 3 group C member 1, caspase-3, etc.), and 10 pathways (including estrogen, IL-17 and VEGF signaling pathway, etc.) that play an essential role in the treatment of coronary heart disease with SZDP. In addition, the results of molecular docking revealed that ginsenosides Rc, Rb2 and Rb1 have strong binding activities to the caspase-3, as well as ginsenoside Rb2 to the nuclear receptor subfamily 3 group C member 1. Conclusion: This study showed that SZDP might act through multiple chemical constituents and targets against coronary heart disease.

Tao Hu;Ke-Ning Zheng;Jia-Yin Liang;Dan Tang;Lu-Yong Zhang;Ming-Hua Xian;Shu-Mei Wang

Key Laboratory of Digital Quality Evaluation of Chinese Materia Medica of State Administration of Traditional Chinese Medicine,Guangdong Pharmaceutical University,Guangzhou 510006,China;Engineering&Technology Research Center for Chinese Materia Medica Quality of the Universities of Guangdong Province,Guangzhou 510006,China;School of Traditional Chinese Medicine,Guangdong Pharmaceutical University,Guangzhou 510006,China;Guangzhou Key Laboratory of Construction and Application of New Drug Screening Model Systems,Guangdong Pharmaceutical University,Guangzhou 510006,China;School of Pharmacy,Guangdong Pharmaceutical University,Guangzhou 510006,China

传统医学研究（英文版）

[1]Tao Hu;Ke-Ning Zheng;Jia-Yin Liang;Dan Tang;Lu-Yong Zhang;Ming-Hua Xian;Shu-Mei Wang-.Integrated UHPLC-MS and network pharmacology to explore the active constituents and pharmacological mechanisms of Shenzao dripping pills against coronary heart disease)[J].传统医学研究（英文版）,2022(03):68-80

Shenzao,SZDP

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