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Identification of blood-absorbed components of Qingkui Yuyang decoction and its mechanistic roles in ulcerative colitis based on UPLC-Q-Exactive Orbitrap-MS/MS and network pharmacology
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DOI：10.1016/j.jpba.2026.117408.png)
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Abstract
En 中文
Ulcerative colitis (UC) is a chronic inflammatory bowel disease characterized by recurrent episodes of intestinal inflammation and mucosal injury. Qingkui Yuyang decoction (QKY), a clinically validated traditional Chinese medicinal formula, has been widely used in the treatment of UC; however, its pharmacodynamically active constituents and underlying mechanisms of action have not been fully elucidated. In this study, we explored the therapeutic mechanisms of QKY in treating UC by employing a combination of serum pharmacochemistry, network pharmacology, and molecular docking techniques. Initially, using UPLC-Q-Exactive Orbitrap-MS/MS, 28 candidate active compounds in the serum of rats treated with QKY were identified. Subsequently, network pharmacology analysis identified 43 overlapping targets between UC and the active components, and 30 related signaling pathways. Further analysis and molecular docking studies have confirmed that the key active components (Loureirin A, Berberine, Ellagic acid) possess potential for effective therapeutic effects with the core targets (RELA, AKT1). In addition, in vitro experiments demonstrated that QKY significantly downregulated the expression levels of the pro-inflammatory cytokines IL-6 and TNF-alpha. QKY also markedly reduced the phosphorylation levels of NF-kappa B p65 and p38 MAPK, as well as the corresponding mRNA expression levels of these signaling molecules. These results suggest that QKY may exert its therapeutic effects on UC by modulating the MAPK and NF-kappa B signaling pathways, offering a promising strategy for the prevention and treatment of UC.
Keywords:
Qingkui Yuyang Decoction
Ulcerative Colitis
UPLC-Q-Exactive Orbitrap-MS/MS
Network Pharmacology
Mechanism of action
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3.1
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1.5W
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2.5W
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Cited Papers