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| Screening of anti-inflammatory monomeric compounds from Xuanfei Baidu Decoction via regulation of the IL-6/IL-6R pathway |
| Hits 246 Download times 41 Received:December 28, 2025 |
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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 Name | Affiliation | E-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 |
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| Abstract
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| [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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