Title:Elucidation of the Molecular Mechanism of Compound Danshen Dripping Pills
against Angina Pectoris based on Network Pharmacology and Molecular
Docking
Volume: 30
Issue: 16
Author(s): Xiaocui Tian, Shiqi Yin, Zhiguang Liu, Jinglin Cao, Xinyu Liu and Qi Qiu*
Affiliation:
- Department of Pharmacy, Beijing Anzhen Hospital, Capital Medical University, Beijing, China
- School of Pharmaceutical Sciences, Capital Medical University, Beijing, China
Keywords:
Compound Danshen dripping pills, angina pectoris, network pharmacology, molecular docking, TCMSP, protein-protein interaction.
Abstract:
Background: Compound Danshen dripping pills (CDDP), a traditional Chinese medicine, has had
an extensive application in the treatment of angina pectoris (AP) in China. However, research on the bioactive
ingredients and underlying mechanisms of CDDP in AP remains unclear.
Objective: In the present study, we explored the major chemical components and potential molecular mechanisms
linked to the anti-angina effects of CDDP through the application of network pharmacology and molecular
docking.
Methods: The potential targets of active ingredients in CDDP were sourced from the Traditional Chinese
Medicine Systems Pharmacology Database (TCMSP) and the Swiss Target Prediction Database (STPD). Additionally,
targets related to angina pectoris (AP) were retrieved from various databases, including Gene Cards,
DisGeNET, Dis Genet, the Drug Bank database (DBD), and the Therapeutic Target Database (TDD). Protein-
protein interaction networks were also established, and core targets were identified based on their topological
significance. GO enrichment analysis and KEGG pathway analysis were conducted using the R software.
Interactions between active ingredients and potential targets selected through the above process were investigated
through molecular docking.
Results: Seventy-six active ingredients were selected with the following criteria: OB ≥ 30%, DL ≥ 0.18. 383
targets of CDDP and 1488 targets on AP were gathered, respectively. Afterwards, 194 common targets of CDDP
and anti-AP targets were defined, of which 12 were core targets. GO enrichment analysis indicated that
CDDP acted on AP by response to lipopolysaccharide, regulating the reactive oxygen species and metal ion
metabolism, and epithelial cell proliferation. In addition, KEGG enrichment analysis indicated that the signaling
pathways were notably enriched in lipid and atherosclerosis, fluid shear stress and atherosclerosis, IL-17
signaling pathway, EGFR tyrosine kinase inhibitor resistance, PI3K-Akt signaling pathway, and TNF signaling
pathway. Moreover, the molecular docking manifested excellent binding capacity between the active ingredients
and targets on AP.
Conclusion: This study comprehensively illustrated the bioactive, potential targets, and molecular mechanisms
of CDDP against AP, offering fresh perspectives into the molecular mechanisms of CDDP in preventing
and treating AP.
