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2000
Volume 21, Issue 18
  • ISSN: 1570-1808
  • E-ISSN: 1875-628X

Abstract

Object

Benzoinum is a traditional Chinese medicine used to treat ischemic stroke. However, the mechanism of action of benzoinum for treating ischemic stroke still remains unclear. This study aims to elucidate the mechanism of benzoinum for treating ischemic stroke based on network pharmacology and molecular docking, which will explore its key targets and provide a basis and new treatment ideas for its clinical application.

Methods

Targets associated with ischemic stroke were retrieved from the Genecards database using the keywords “Ischemic stroke” and “Cerebral ischemia.” Network pharmacology analysis was conducted, and a network diagram encompassing drugs, components, targets, and diseases was constructed. The analysis was performed using the Intelligent Network Pharmacology Platform Unique for Traditional Chinese Medicine (INPUT). PPI enrichment analysis was utilized to identify key target genes; GO and KEGG enrichment analyses were carried out to ascertain the primary biological processes, molecular functions, cellular components, and pathways involved. A target network diagram was generated to identify the most enriched targets. The interaction between compounds and targets was determined molecular docking.

Results

A total of 65 active ingredients from benzoinum were identified as potentially effective for the treatment of ischemic stroke. Potential active substances, oleanolic acid, 2,3,5,7-Tetrahydroxyflavone, naphthalene, eucalyptol, and benzoic acid were ranked according to their degree values. In addition, 226 targets were found to be involved in the process. The PPI topology analysis revealed that the core targets included TP53, JUN, STAT3, AKT1, PIK3CA, RELA, MAPK1, MAPK3, TNF, and CXCL8. GO enrichment analysis yielded 6807 entries, with 5589 entries in BP, 385 entries in CC, and 833 entries in MF. KEGG enrichment analysis resulted in 290 entries, primarily related to lipid and atherosclerosis, PI3K-Akt pathway, chemical carcinogenesis receptor activation, IL-17 pathway, and TNF pathway. Molecular docking also demonstrated the interactions between the principal compounds and their respective targets.

Conclusion

Benzoinum appears to exert therapeutic effects on ischemic stroke through multiple components, targets, and pathways, with a primary association with its anti-inflammatory properties. However, further experimental validation is recommended to more accurately define its active constituents and mechanisms of action.

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2025-09-27

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Mechanism of Benzoinum in the Treatment of Ischemic Stroke Based on Network Pharmacology and Molecular Docking
Letters in Drug Design & Discovery 21, 4247 (2024); https://doi.org/10.2174/0115701808319838241126095412
/content/journals/lddd/10.2174/0115701808319838241126095412
/content/journals/lddd/10.2174/0115701808319838241126095412
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  • Article Type:     Research Article
Keyword(s): anti-inflammatory activity; Benzoinum; ischemic stroke; mechanism; molecular docking; network pharmacology

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