Identification of Active Compounds in Compound Qinlan Oral Liquid Using a Comprehensive Strategy Based on UPLC-Q-TOF-MS, In vitro Activity, and Molecular Docking Techniques

Background: Compound Qinlan oral liquid (CQOL) is a traditional Chinese medicinal formulation with potent anti-inflammatory effects for treating acute bronchiolitis. However, its specific active components and mechanisms of action remain unclear. Objectives: This study aimed to identify potential active components and targets of CQOL. Methods: UPLC-Q-TOF-MS was used to detect and characterize its major chemical constituents, alongside an investigation of active compounds and metabolic characteristics in rats. Network pharmacology and molecular docking analyses were conducted to elucidate the complex mechanisms underlying CQOL’s effects. Finally, the anti-inflammatory activities of selected monomers and compounds were validated. Results: A total of 118 chemical components were identified in the CQOL freeze-dried powder, while 24 components and 37 metabolites were detected in rat serum. Network pharmacology analysis of the serum components revealed key active components targeting EGFR, STAT3, SRC, HSP90AA1, AKT1, tumor necrosis factor, ESR1, HSP90AB1, MAPK1, and PIK3CA. Molecular docking results indicated that HSPA8, HSP90AA1, and HSP90AB1 are critical targets mediating CQOL’s anti-inflammatory effects. In addition, CQOL demonstrated the most significant anti-inflammatory response compared to any single component tested. Conclusion: These findings highlight CQOL’s potential as a complementary medicine for respiratory infections and provide a theoretical foundation for further development and clinical application.