Docking studies for optimizing lipophilic tail
Docking studies with various lipophilic tails indicate that phenoxyphenyl, benzyloxyphenyl and biphenyl groups gave high fitness scores while a methylene linker in between the tail and aminoacetamide provides an ideal angle to project a linked BQ toward Cys165. Blue=enzyme, green=compound without CH2 linker, pink=compound with CH2 linker.