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. Author manuscript; available in PMC: 2009 Sep 25.
Published in final edited form as: Bioorg Med Chem. 2008 Nov 9;17(1):149–164. doi: 10.1016/j.bmc.2008.11.008

Figure 2.

Figure 2

CoMFA maps for benzil-analogs for the three carboxylesterases examined. (A) hiCE (Eq. (4)), (B) hCE1 (Eq. (5)) and (C) rCE (Eq. (6)). The template molecule is 1-(3,4-dimethylphenyl)-2-phenylethane-1,2-dione (12). The contours are shown to surround regions where a higher steric bulk increases (green) or decreases (yellow) the inhibitory activity and a negative (red) or positive electronic potential (blue) amplifies biological activity.