Identification of antidiabetic components in Uncariae Rammulus Cum Uncis based on phytochemical isolation and spectrum–effect relationship analysis
Objectives Uncariae Rammulus Cum Uncis (URCU) is a commonly used herbal medicine to treat diabetes. This work is aimed to discover and identify the antidiabetic components from URCU extract. Methods Column chromatography and recrystallisation were used to separate individual compounds from URCU extract, and the obtained individual compounds were used for determination of α-glucosidase inhibitory activity. Molecular docking was applied to predict the molecular interactions. High-performance liquid chromatography (HPLC) was used for fingerprint analysis of 12 batches of URCU. HPLC fingerprints were assessed by the similarity analysis (SA) and hierarchical clustering analysis (HCA). The spectrum–effect relationship analysis of URCU was assessed by orthogonal partial least squares (OPLS) and bivariate correlation analysis (BCA). Results A total of 10 potential bioactive compounds were isolated and six of them showed potent α-glucosidase inhibitory activity (IC 50 = 4.21–166.10 μM). The molecular docking results revealed that the binding energy was consistent with the results of α-glucosidase inhibition activity analysis (−8.55 to −4.84 kcal/mol). The ethanol extracts of the 12 batches of URCU showed inhibitory effect on α-glucosidase in a dose-dependent manner, and the IC 50 values ranged from 0.94 μg/mL to 12.57 μg/mL. The spectrum–effect relationship analysis results indicated that 13 peaks might be potential antidiabetic compounds in URCU, including 18 (hyperoside) and 19 (rutin). Conclusion A comprehensive connection between URCU chemical components and α-glucosidase inhibitory activity was established for the first time by using a spectrum–effect relationship model, which might be applicable to the quality control of URCU.
危险品化学品经营许可证（带存储）