Design The molecular model of NCC149 (7) docked into the HDAC8 catalytic core suggested that the triazole ring interacts with the methylene group of HDAC8 Phe 152 through CH-π or hydrophobic interactions 15b (Figure 2). The triazole ring is also considered to be important in fixing the orientation of the zinc-binding hydroxamate and the hydrophobic pocket-binding phenylthiomethyl group appropriately, thereby contributing to ...