Network Pharmacology and Molecular Docking Identify the Potential Mechanism and Therapeutic Role of in Alzheimer's Disease.

Drug Des Devel Ther

Department of Clinical Psychology, The First Affiliated Hospital, Hengyang Medical School, University of South China, Hengyang, Hunan, People's Republic of China.

Published: April 2024

AI Article Synopsis

  • The study investigates the neuroprotective effect of a traditional Chinese herb known for anti-inflammatory and antioxidant benefits on cognitive impairment related to Alzheimer's disease.
  • Researchers used network pharmacology to identify active compounds and their targets, constructing a regulatory network to understand how the herb affects Alzheimer's-related proteins.
  • Key findings include the identification of 36 active ingredients and their strong binding capabilities to protein targets, indicating potential pathways for treatment, with in vitro experiments confirming the herb's effectiveness in regulating relevant signaling pathways.

Article Abstract

Aim: , a traditional Chinese medicinal herb renowned for its anti-inflammatory, antioxidant, and anti-tumor properties, has shown promise in alleviating cognitive impairment associated with Alzheimer's disease. Nonetheless, the exact neuroprotective mechanism of against Alzheimer's disease remains unclear. In this study, network pharmacology was employed to explore the possible mechanisms by which protects against Alzheimer's disease.

Methods: The active compounds of were retrieved from the TCMSP database, and their corresponding targets were identified. Alzheimer's disease-related targets were obtained through searches in the GeneCards and OMIM databases. Cytoscape 3.6.0 software was utilized to construct a regulatory network illustrating the "active ingredient-target" relationships. Subsequently, the target genes affected by in the context of Alzheimer's disease were input into the String database to establish a PPI network. GO analysis and KEGG analysis were conducted using the DAVID database to predict the potential pathways associated with these key targets. Following this, the capacity of these active ingredients to bind to core targets was confirmed through molecular docking. In vitro experiments were then carried out for further validation.

Results: A total of 36 active ingredients from were screened out, which corresponded to 365 targets. Molecular docking results demonstrated the robust binding abilities of Baicalein, Wogonin, and 5,2'-Dihydroxy-6,7,8-trimethoxyflavone to key target proteins (SRC, PIK3R1, and STAT3). In vitro experiments showed that the active components of can inhibit STAT3 expression by downregulating the PIK3R1/SRC pathway in Neuro 2A cells.

Conclusion: In summary, these findings collectively suggest that holds promise as a viable treatment option for Alzheimer's disease.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC11032720PMC
http://dx.doi.org/10.2147/DDDT.S450739DOI Listing

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