Detection of Herbal Combinations and Pharmacological Mechanisms of Clinical Prescriptions for Coronary Heart Disease Using Data Mining and Network Pharmacology.

Siling Bi,Yunsheng Xu,Liang Xu,Shouqiang Chen,Shuai Bu,Jing Zhao

doi:10.1155/2021/9234984

Abstract

Though widely used in the treatment of coronary heart disease (CHD), the mechanism of traditional Chinese medicine (TCM) is still unclear because of its complex prescription rules. This study prospectively collected 715 prescriptions of TCM for the treatment of CHD. The characteristics of TCM in prescriptions were described and analyzed, and the rules of prescriptions were analyzed by using association rules. Frequency statistics showed that the high-frequency herbs with a frequency of more than 60% were Gan-cao, Huang-qi, Dang-gui, Chuan-xiong, Yan-hu-suo, and San-qi. The high-frequency herb combinations were summarized by using association rules. By using the method of the “Top N groups” to excavate the empirical prescriptions, the basic prescriptions for treating CHD were summarized. We named the intersection herbs of the basic prescriptions and the high frequency herbs as the core herbal prescription. To explore the possible mechanisms underlying the anti-CHD effect of the core herbal prescription, the bioactive components of core herbal prescription and their targets were screened out by using network pharmacology. Molecular docking was performed between the bioactive components and core targets. A total of 28 potential active ingredients and 5 core targets were identified for the treatment of CHD with core herbal prescription. The enrichment analysis results indicated that the mechanism of action mainly involved neuroactive ligand-receptor interaction and calcium signaling pathway. The commonly used herbal pairs for CHD with qi deficiency and blood stasis syndrome were Huang-qi and Dang-gui. The mechanism of action of common herbal pairs was also studied by network pharmacology. This study summarized the prescription rule of TCM in the treatment of CHD and may provide a new idea for the treatment of CHD.

Highlights

Coronary heart disease (CHD) is a common heart disease and one of the leading causes of death worldwide [1, 2]. e World Health Organization (WHO) estimates that there are approximately 17.9 million deaths from cardiovascular diseases and 7.4 million deaths from CHD worldwide each year [3]
We discovered that the basic prescriptions of traditional Chinese medicine (TCM) for the treatment of CHD were “Gan-cao, Huang-qi, Mai-dong, San-qi, Yan-hu-suo, Wu-wei-zi, and Dang-gui.”
Studies have shown that the lower the binding energy required for ligands for the binding of the ligand to receptors, the more stable the binding conformation. e results of this study showed that the binding energy between the target of core herbal prescription and CHD was negative

Summary

Introduction

Coronary heart disease (CHD) is a common heart disease and one of the leading causes of death worldwide [1, 2]. e World Health Organization (WHO) estimates that there are approximately 17.9 million deaths from cardiovascular diseases (https://www.who.int/health-topics/cardiovasculardiseases) and 7.4 million deaths from CHD worldwide each year [3]. Coronary heart disease (CHD) is a common heart disease and one of the leading causes of death worldwide [1, 2]. E World Health Organization (WHO) estimates that there are approximately 17.9 million deaths from cardiovascular diseases (https://www.who.int/health-topics/cardiovasculardiseases) and 7.4 million deaths from CHD worldwide each year [3]. As the world’s biggest killer, ischemic heart disease accounts for 16% of the world’s total deaths. Since 2000, the largest increase in deaths has been for this disease, rising by more than 2 million to 8.9 million deaths in 2019 (https:// www.who.int/news-room/fact-sheets/detail/the-top-10causes-of-death). TCM has a history of treating CHD and related diseases for thousands of years. It has unique advantages and remarkable clinical efficacy [4]. Due to its multicomponent characteristics, diseases can be treated through a variety of ways and targets [5, 6]. e large-scale clinical data are the core empirical knowledge source of TCM research [7]

Methods

Results

Discussion

Conclusion