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Screening of anti-inflammatory monomeric compounds from Xuanfei Baidu Decoction via regulation of the IL-6/IL-6R pathway
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DOI   10.11656/j.issn.1672-1519.2026.02.10
Key Words   Xuanfei Baidu Decoction;IL-6/IL-6R antagonist;Chinese medicine monomers;molecular docking;competitive enzyme-linked immunosorbent assay;anti-inflammatory
Author NameAffiliationE-mail
CHANG Huilin Institute of Traditional Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China  
LUO Zijuan Institute of Traditional Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China  
LI Shuning Institute of Traditional Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China  
GAO Panwei Institute of Traditional Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China  
WANG Meng Institute of Traditional Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China  
YUAN Qing Institute of Traditional Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China
State Key Laboratory of Component Chinese Medicines, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China
Key Laboratory of Pharmacology of Traditional Chinese Medical Formulae, Ministry of Education, Tianjin 301617, China 
 
MIAO Lin Institute of Traditional Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China
State Key Laboratory of Component Chinese Medicines, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China
Key Laboratory of Pharmacology of Traditional Chinese Medical Formulae, Ministry of Education, Tianjin 301617, China 
 
ZHANG Han Institute of Traditional Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China
State Key Laboratory of Component Chinese Medicines, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China
Key Laboratory of Pharmacology of Traditional Chinese Medical Formulae, Ministry of Education, Tianjin 301617, China 
 
CHAI Lijuan Institute of Traditional Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China
State Key Laboratory of Component Chinese Medicines, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China
Key Laboratory of Pharmacology of Traditional Chinese Medical Formulae, Ministry of Education, Tianjin 301617, China 
cljuan1258@163.com 
Abstract
    [Objective]To screen the Chinese herbal monomer components from Xuanfei Baidu Formula(XFBD)with anti-inflammatory activity based on molecular docking and competitive enzyme - linked immunosorbent assay (ELISA) experiments.[Methods]Using Discovery Studio 2.5, molecular docking was performed between 963 herbal monomer components contained in XFBD and interleukin-6 receptor(IL-6R). A competitive ELISA-based screening model for IL-6/IL-6R antagonists was established to validate the inhibitory effects of monomer components on IL-6/IL-6R binding.[Results]Molecular docking results indicated that 19 monomer components from XFBD exhibited strong binding potential to IL - 6R. Competitive ELISA results showed that the optimal binding concentration between IL-6R and IL-6 was 2 μg/mL, under which the IL-6/IL-6R antagonist screening model was constructed. Using this model, the inhibitory activity of the 19 monomer components was verified. The results demonstrated that all 19 components significantly inhibited the binding of IL-6 to IL-6R. Among them, eight components-hesperidin, amygdalin, isorhamnetin-3-O-rutinoside, vitexin, loganin, stearic acid, kaempferol, and p-methoxycinnamic acid-showed inhibition rates exceeding 50%.[Conclusion]Multiple monomer components in Xuanfei Baidu Formula exert anti-inflammatory effects by blocking IL- 6/IL-6R binding, providing a material basis for its anti- inflammatory activity.

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