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.