Anti‐Inflammatory Activity and In Silico Approach of Phenolics From the Roots of Aganonerion polymorphum

ABSTRACT A study on the chemical components from the roots of Aganonerion polymorphum resulted in the isolation of a new and six first isolated compounds. The structure of the new compound was definitively determined by the employment of multiple spectroscopic techniques, hydrolysis reaction, followed by high‐performance liquid chromatography‐mass spectrometry analysis in comparison with those reported in the literature. All compounds were evaluated for inhibitory effect in lipopolysaccharide (LPS)‐induced nitric oxide (NO) production on RAW264.7 cells. Compounds 1 , 4 , 6 , and 7 demonstrated IC 50 values of 4.71 ± 0.08, 7.89 ± 0.42, 7.51 ± 0.70, and 9.63 ± 0.40 µM, respectively, which considerably decreased NO generation generated by LPS‐activated RAW264.7 cells. This is the first investigation of the anti‐inflammatory capacity of A. polymorphum . Molecular docking offers proof of their anti‐inflammatory properties by how well these compounds bind to the proteins that target inflammation. Our findings either highlight chemical or pharmacology investigation from this plant for utilizing the development of functional products to manage inflammatory diseases.