Biological Activities of Constituents from Rosa roxburghii and Their Mechanisms Based on Network Pharmacology and Biological Verification

Rosa roxburghii Tratt is widely cultivated in southwestern areas of China for a range of purposes, including food and medicine. To enhance its application value, one previously undescribed compound (1) and six known compounds (2-7) were isolated from the roots of R. roxburghii. The structures of compounds (1-7) were determined through NMR, HR-MS, and CD experiments, and by comparison of their spectroscopic data with values from the literature. Roxbubenzoate A (1) contained a benzoyl glucuronosyl glycerol scaffold featuring a rare α-glucuronosyl linkage. Seven compounds (1-7) were tested for their anti-inflammatory, α-glucosidase-inhibitory, and radical-scavenging activities. Compound 3 showed a significant inhibitory effect on the release of NO in LPS-induced RAW264.7 macrophages, with an IC50 value of 7.8 ± 0.2 μM. Compounds 2, 4, and 7 exhibited moderate inhibitory activity against α-glucosidase, with inhibition rates of 50.1%, 46.7%, and 41.1% at a concentration of 200 μM, respectively. Compounds 1, 2, and 6 exhibited moderate ABTS radical-scavenging activity, with IC50 values of 107.0 ± 1.1, 142.6 ± 0.8, and 128.3 ± 1.2 μM, respectively. The network pharmacological analysis and molecular docking results suggested that 3 may be able to treat inflammation by binding TNF-α and IL-6 targets. Finally, the expression of IL-6 and TNF-α in LPS-induced RAW264.7 macrophages was detected through ELISA, and 3 showed a strong inhibitory effect on IL-6 release. These findings offer a novel perspective on the development of rich medicinal plant resources from R. roxburghii roots.