Exploring Anti-Inflammatory Components in Dachengqi Tang Combining Bio-Affinity Ultrafiltration LC-MS with Cyclooxygenase-2

Postoperative ileus (POI) is a common gastrointestinal motility disorder involving intestinal inflammation and mucosal barrier dysfunction. Dachengqi Tang (DCQT), a traditional herbal formula, has demonstrated anti-inflammatory and intestinal protective effects, but its potentially active constituents and their relationships with POI-associated inflammatory proteins remain incompletely characterized. This study used bioaffinity ultrafiltration coupled with liquid chromatography–mass spectrometry (UF-LC-MS) to screen DCQT constituents retained in the presence of cyclooxygenase-2 (COX-2) and C-X-C motif chemokine ligand 1 (CXCL1). Selected candidates were further evaluated by molecular docking against COX-2 and by cell-based cytokine assays. LC-MS analysis indicated that the screened constituents mainly comprised flavonoids, anthraquinones, and related phytochemicals. Four candidates-hesperidin, naringin, rhein, and 6-methyl-aloe-emodin-were prioritized based on the ultrafiltration screening. Docking predicted favorable interactions of hesperidin and naringin with COX-2. In LPS-stimulated THP-1-derived macrophages, all four candidates reduced the measured levels of interleukin-6, interleukin-1β, and tumor necrosis factor-α. Overall, the findings prioritize candidate anti-inflammatory constituents of DCQT and provide preliminary evidence for further investigation of COX-2 docking predictions and CXCL1-associated ultrafiltration signals.