title: In silico and in vitro immunomodulatory studies on compounds of Lindelofia stylosa.
abstract: 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.
authors.affiliation: Dr. Panjwani Center for Molecular Medicine and Drug Research, International Center for Chemical and Biological Sciences, University of Karachi, Karachi, Pakistan.
authors.forename: M Ahmed
authors.initials: MA
authors.lastname: Mesaik
authors.forename: Almas
authors.initials: A
authors.lastname: Jabeen
authors.forename: Sobia A
authors.initials: SA
authors.lastname: Halim
authors.forename: Afshan
authors.initials: A
authors.lastname: Begum
authors.forename: A Shukralla
authors.initials: AS
authors.lastname: Khalid
authors.forename: Muhammad
authors.initials: M
authors.lastname: Asif
authors.forename: Beenish
authors.initials: B
authors.lastname: Fatima
authors.forename: Zaheer
authors.initials: Z
authors.lastname: Ul-Haq
authors.forename: M Iqbal
authors.initials: MI
authors.lastname: Choudhary
mesh_terms: D001665:Binding Sites; D028082:Boraginaceae / Q000737:chemistry*; D045744:Cell Line, Tumor; D049109:Cell Proliferation; D003198:Computer Simulation; D016207:Cytokines / Q000378:metabolism; D006801:Humans; D007155:Immunologic Factors / Q000737:chemistry* / Q000302:isolation & purification / Q000494:pharmacology*; D007376:Interleukin-2 / Q000737:chemistry / Q000378:metabolism; D009504:Neutrophils / Q000187:drug effects* / Q000378:metabolism; D010946:Plants, Medicinal / Q000737:chemistry; D017434:Protein Structure, Tertiary; D017382:Reactive Oxygen Species / Q000378:metabolism
chemical_list: D016207:Cytokines; D007155:Immunologic Factors; D007376:Interleukin-2; D017382:Reactive Oxygen Species