Biological Activities of Constituents from <i>Rosa roxburghii</i> and Their Mechanisms Based on Network Pharmacology and Biological Verification.

Abstract

<i>Rosa roxburghii</i> 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 (<b>1</b>) and six known compounds (<b>2</b>-<b>7</b>) were isolated from the roots of <i>R. roxburghii</i>. The structures of compounds (<b>1</b>-<b>7</b>) were determined through NMR, HR-MS, and CD experiments, and by comparison of their spectroscopic data with values from the literature. Roxbubenzoate A (<b>1</b>) contained a benzoyl glucuronosyl glycerol scaffold featuring a rare <i>α</i>-glucuronosyl linkage. Seven compounds (<b>1</b>-<b>7</b>) were tested for their anti-inflammatory, <i>α</i>-glucosidase-inhibitory, and radical-scavenging activities. Compound <b>3</b> 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 <b>2</b>, <b>4</b>, and <b>7</b> exhibited moderate inhibitory activity against <i>α</i>-glucosidase, with inhibition rates of 50.1%, 46.7%, and 41.1% at a concentration of 200 μM, respectively. Compounds <b>1</b>, <b>2</b>, and <b>6</b> 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 <b>3</b> may be able to treat inflammation by binding TNF-<i>α</i> and IL-6 targets. Finally, the expression of IL-6 and TNF-<i>α</i> in LPS-induced RAW264.7 macrophages was detected through ELISA, and <b>3</b> showed a strong inhibitory effect on IL-6 release. These findings offer a novel perspective on the development of rich medicinal plant resources from <i>R. roxburghii</i> roots.