In Silico and In Vitro Immunomodulatory Studies on Compounds of Lindelofia stylosa

Lindolefia stylosa (Kar. and Kir.) is an important medicinal plant in Central and West Asia. Compounds 1 (ethyl lithospermate), 2 (methyl lithospermate), 3 (lithospermate B), 4 (rosmarinic acid), 5 (methyl rosmarinate), 6 (ethyl rosmarinate), 7 (3‐O‐feruloyl‐6′‐O‐coumaroyl sucrose), 8 (3‐O‐feruloyl‐6′‐O‐caffeoyl sucrose), 9 (3,6′‐O‐diferuloyl sucrose), 10 (3,6′‐O‐diferuloyl‐1‐kestose), 11 (3‐O‐feruloyl‐6′‐O‐coumaroyl‐1‐kestose), 12 (3,6′‐O‐diferuloyl nystose), 13 (3‐O‐Feruloyl‐6′‐O‐coumaroyl nystose), 14 (p‐coumaric acid), 15 (ferulic acid), 16 (naphthalene glycoside (8‐O‐β‐D‐glucopyranoside)), and 17 (4′‐hydroxy‐5‐methoxy‐6,7‐methylenedioxyisoflavone), isolated from this plant, were evaluated for their ability to modulate the immune response. Studies included monitoring the effect on reactive oxygen species (ROS) production, T‐lymphocyte proliferation, and inhibition of four cytokines (IL‐2, TNFα, IL‐1β, and IL‐4). These cytokines play a major role in immune response modulation. Molecular docking studies on selected compounds were also conducted, which predict a potent activity of compounds 5 and 6 and moderate activity of compounds 1 and 2 as inhibitors of IL‐2. Correlation between the predicted binding scores and the experimental results was found to be valid. Compound 5 was identified as the most potent IL‐2 inhibitor in the series. Seventeen natural compounds from Lindolefia stylosa were identified as immunomodulators. These compounds have shown significant inhibitory effects on reactive oxygen species production, T‐lymphocyte proliferation, and the production of cytokines IL‐1, IL‐2, IL‐4 and TNF‐α