OPTIMIZATION OF NORMAL-PHASE CHROMATOGRAPHIC SEPARATION FOR QINGLONGYI AND PREDICTION OF ITS BIOACTIVITIES BASED ON PUBLIC CHEMICAL CONSTITUENT DATABASES

Abstract

Qinglongyi is a natural medicinal resource with a defined origin and a chemically complex constituent profile, making it worthy of further investigation from the perspectives of chemical characterization and bioactivity-related research. In the present study, the reported chemical constituents of Qinglongyi were systematically compiled from publicly accessible chemical constituent databases, and a targeted normal-phase chromatographic separation strategy was designed and optimized based on their structural categories and physicochemical properties. On this basis, representative compounds were further subjected to bioactivity prediction in order to provide a reference for the subsequent screening of active constituents and the investigation of pharmacologically relevant material basis. The results showed that the reported constituents of Qinglongyi mainly included phenolics, flavonoids, quinones, terpenoids, and fatty acids, and evident differences in polarity distribution were observed among these compound classes, providing an important basis for the separation of its complex constituent system. The optimization results further indicated that petroleum ether-ethyl acetate-based mobile-phase systems afforded better component dispersion and separation performance, with an appropriate solvent ratio giving the best overall result. In addition, bioactivity prediction suggested that the representative compounds of Qinglongyi may be mainly associated with anti-inflammatory, antioxidant, antiproliferative, and antimicrobial activities. Overall, this study established an integrated research route combining constituent compilation, separation optimization, and bioactivity prediction for Qinglongyi, which may provide a theoretical basis and methodological reference for its subsequent isolation, functional screening, and material basis investigation.