FIGURE 12.
Structure-activity relationship of isothiocyanate. A, the HEK293-TLR4/MD2 cells (panels a, c, and e) or HEK293-TLR2 (panels b, d, and f) were pretreated with isothiocyanate derivatives (0.5 μm) for 30 min and then treated with 100 ng/ml LPS (panels a, c, and e) or Pam3CSK4 (panels b, d, and f) for 24 h. The results shown are means ± S.D. (error bars) of three independent experiments. ***, p < 0.005. B, correlation between log P and TLR2 (left) or TLR4 (right) inhibitory potency. log P was calculated using ChemBioDraw Ultra 12.0. C, correlation between polar surface area (PSA) and TLR2 (left) or TLR4 (right) inhibitory potency. Polar surface area was calculated using ChemBioDraw Ultra 12.0. D, iberin contains an isothiocyanate group, methylene groups, and alkylsulfinyl group.