Journal of Oral Science Research ›› 2025, Vol. 41 ›› Issue (1): 26-34.DOI: 10.13701/j.cnki.kqyxyj.2025.01.006

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Prediction of Potential Targets and Molecular Mechanisms of Compound Honeysuckle in Prevention and Treatment of Periodontitis Based on Network Pharmacology and Molecular Docking Technology

XIANG Jing, CHEN Qihang, QIANG Xiaoye, WANG Shuxin, ZHANG Dejun*   

  1. College of Ecological and Environmental Engineering, Qinghai University, Xining 810016, China
  • Received:2024-07-22 Online:2025-01-28 Published:2025-01-24

Abstract: Objective: To screen the potential active components and molecular mechanisms of Compound Honeysuckle by network pharmacology in preventing and treating periodontitis and to verify the inhibitory effect of compound honeysuckle on Porphyromonas gingivalis (Pg) through experimental validation. Methods: Active components and targets were screened using multiple databases combined with ADME and Lipinski's rules. A drug-active component-target network was constructed, and core targets were identified through the PPI network. GO and KEGG enrichment analyses were used to explore the functions and pathways of the targets. Molecular docking was used to validate the binding activity between active components and target proteins. The inhibitory effect of compound honeysuckle on Pg was determined using the broth microdilution method. Results: A total of 38 active components of compound honeysuckle were identified, with key targets including AKT serine/threonine kinase 1 (AKT 1), epidermal growth factor receptor erbB1 (EGFR),and heat shock protein 90 alpha family class A member 1 (HSP90AA1). KEGG analysis indicated that compound honeysuckle may exert its effects through the regulation of the phosphatidylinositol 3-kinase/Akt Pathway (PI3K-Akt), calcium signaling pathways, and cancer-related pathways. Molecular docking confirmed good binding affinity between key compounds and targets. In vitro experiments showed that the MIC and MBC of compound honeysuckle against Pg were both 5.469 mg/mL. Conclusion: Compound honeysuckle shows potential in preventing and treating periodontitis through the modulation of multiple targets and signaling pathways, providing a theoretical basis for further research and clinical applications.

Key words: network pharmacology, periodontitis, compound honeysuckle, molecular docking, Porphyromonas gingivalis