Akademik Veri Yönetim Sistemi
Microchemical Journal, cilt.208, 2025 (SCI-Expanded)
Astragalus L., a pivotal genus in the Fabaceae family, has long been utilized in traditional Chinese medicine and other folk medicines worldwide. Its various species are reputed for their extensive pharmacological properties derived from various active compounds. This study aimed to investigate the metabolic profiles and inhibitory activities of α-amylase and α-glucosidase of several Astragalus species. Using UPLC-QqQ-MS/MS analysis and multivariate statistical techniques, 65 metabolites, including saponins, flavonoids, phenolic acids and fatty acids, were identified in the aerial parts of A. dactylocarpus, A. bombycinus, A. tomentosus and A. radicatus. The phytochemical profiling revealed distinct qualitative and quantitative differences across the species, with A. bombycinus showing the highest concentration of saponin glycosides. A. radicatus was rich in isoflavones and flavonoidal glycosides and A. tomentosus was characterized by a high content of fatty acids. Unsupervised pattern recognition analysis via PCA and supervised analysis through OPLS-DA corroborated these findings, with specific chemical markers identified for each species. These markers elucidated the compounds responsible for the differentiation of each Astragalus species, providing insights into their classification and potential therapeutic applications. Further, in vitro assays demonstrated that A. bombycinus exhibited the strongest inhibitory effects against both α-amylase and α-glucosidase, with IC50 values of 322.2 ± 1.055 µg/mL and 742.4 ± 1.07 µg/mL, respectively. Notably, an OPLS discrimination model highlighted significant variations in secondary metabolites influencing enzyme inhibition activities, identifying key bioactive compounds such as astraflavonoid C, astragaloside II and acetylastragaloside I. Molecular docking and dynamics simulations identified 3,7-dihydroxyflavone and coumaroylhexaric acid as strong inhibitors of α-glucosidase, while cyclocephaloside I and wistariasaponin B2 were potent inhibitors of α-amylase. These compounds formed key hydrogen bonds and electrostatic interactions, confirmed by stable binding in MD simulations. The findings underscore the potential of Astragalus species as effective enzyme inhibitors in diabetes management, attributed to their diverse and potent bioactive metabolites.