Anti-Inflammatory Activity Evaluation and Molecular Docking Analysis of Four New Compounds Isolated from M. Oleifera Seeds

Moringa oleifera seeds had shown multiple pharmacological properties and contained various chemical constituents. In a study focusing on the investigation of active compounds in M. oleifera seeds, four new compounds were isolated, including three benzyl alcohol compounds (1–3), and one benzyl thiocarbamate (4). Their structures were determined using comprehensive spectroscopic methods, such as ECD, 1D and 2D NMR experiments. The inhibitory activities of these compounds against lipopolysaccharide (LPS)-activated nitric oxide (NO) production in RAW 264.7 were evaluated in vitro. Compounds 1–3 demonstrated moderate inhibitory activities against LPS-activated NO production in RAW 264.7 cells. Furthermore, the potential anti-inflammatory mechanisms of compounds 1–3 were elucidated through target prediction and molecular docking analyses. Molecular docking analysis revealed that these compounds exhibited anti-inflammatory activity by antagonizing the MMP-9 receptor. This study offers new insights for the development and utilization of M. oleifera seeds.