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. Author manuscript; available in PMC: 2015 Aug 1.
Published in final edited form as: Bioorg Med Chem. 2014 Jun 16;22(15):3971–3981. doi: 10.1016/j.bmc.2014.06.004

Figure 5.

Figure 5

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.