Pinocembrin blocked the binding of LPS to MD2 protein by competitive occupancy with LPS
(A) Hydrophobic matching map of Pinocembrin (blue), LPS (pink) and TLR4/MD2 complex. (blue and orange areas on the protein surface indicate hydrophilic and hydrophobic regions, respectively). (B) The binding mode of Pinocembrin and MD2. (a: yellow stick represents Pinocembrin, cyan stick indicates the residues involved in interactions, hydrogen bond is shown in blue dash line; b: π–π interaction is shown in green sphere and dash line, the black dotted line indicates hydrogen bond, and the green curve indicates hydrophobic interactions)