Fig. 4.

Structures of the drugs astemizole and lansoprazole and their binding interactions with the C-terminal hexapeptide 386TDHGAE391 of PHF core. (A) The interactions of the drugs with the core PHF-tau fragment drawn as an isosurface. The interaction of AST with PHF fragment shows a high fitting on the tau-PHF surface when it is compared with LNS. The H-bonds are drawn in white dashed lines. (B) Detailed view of the interactions between PHF-tau fragment and the drugs studied by docking experiments. Residues of the PHF fragment are shown in licorice representation and drugs are presented in ball-and-stick representation, with carbon atoms colored in yellow (PHF fragment) and cyan (drugs). The hydrogen bonds are depicted as black dashed lines. The same orientation has been used for the two snapshots (A,C and B,D) for the sake of clarity.