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

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.

Data Mining and Network Pharmacology Analysis of Kidney-Tonifying Herbs on the Treatment of Renal Osteodystrophy Based on the Theory of “Kidney Governing Bones” in Traditional Chinese Medicine

“…It is generally believed that the more stable the ligand-receptor binding conformation, the lower the binding energy, and the binding energy < −4.25 kcal mol −1 can be considered to have the binding activity. Binding energy < −5.0 kcal mol −1 indicates a good binding activity, and binding energy < −7.0 kcal mol −1 indicates a strong binding activity [ 18 , 38 ]. It can be calculated from Figure 8 that the average binding energy of key ingredients and key targets was −7.5 kcal mol −1 , indicating that these ingredients and targets generally had strong binding activities.…”

“…The apriori algorithm was used in SPSS Modeler 18.0 software to conduct an association analysis on kidney meridian herbs [ 18 ]. According to “the support ≥ 15%, the confidence ≥ 85%, and the maximum number of antecedents was 2,” the core herbal combination of treating ROD with TCM was obtained.…”

Mechanistic insights into the ameliorative effects of hypoxia-induced myocardial injury by Corydalis yanhusuo total alkaloids: based on network pharmacology and experiment verification

“…It has been the subject of various pharmacological studies, which have reported its therapeutic effects on numerous cardiovascular diseases. Bi et al (2021) used data mining to confirm that the frequency of yanhusuo in clinical prescriptions for the treatment of coronary artery disease in Chinese medicine is higher than 60%. In addition, previous studies have shown that yanhusuo extract and its constituents such as tetrahydropalmatie have the ability to reduce left ventricular end-diastolic pressure, enhance cardiac ejection function in rats, improve cardiac function, and significantly reduce the size of myocardial infarction, as well as having the ability to mitigate myocardial infarction with antiarrhythmic effects ( Ling et al, 2006 ; Wu et al, 2007 ; Tian et al, 2020 ; Han et al, 2022 ).…”

“…Its primary active components are alkaloids ( Ling et al, 2006 ; Tian et al, 2020 ). Yanhusuo exhibits analgesic and sedative effects and significant therapeutic effects on coronary heart disease, angina pectoris, arrhythmia, and premature beats ( Bi et al, 2021 ). Importantly, it has low toxic side effects and is suitable for long-term use ( Tian et al, 2020 ).…”

Editorial: Molecular Insights Into Ligand-Receptor Interactions on the Cell Surface

“…The network pharmacology was first proposed by Hopkins et al (Hopkins 2008) to overcome the so-called "one-drug/one-target/one-disease" approach in drug discovery. So far, several authors applied the network pharmacology approach mainly to elucidate the mechanism of action of several Chinese herbal medicine (Bi et al, 2021;Li et al, 2022;Wu et al, 2022). Wang et al through a network analysis identified a series of potential targets of TW in the treatment of DN.…”