Diketopiperazine in pocket
Just got this image from Keith Davies of Find-A-Drug of one of the potential anti-malarial diketopiperazines we are trying to make sitting in a pocket of enoyl reductase. With both phenolic groups binding, it is clear why the catechol moiety is a common component in so many members of this library.
The dashed lines indicate the interactions with O_ALA(198)B, N_GLY(96)B, O_MET(98)B and N_ILE(202)B.
posted by Jean-Claude Bradley @ Wednesday, April 26, 2006
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1 Comments:
How do you keep the catechol in the reduced form and not oxidized to an ortho-quinone which will react with nucelophiles in the protein?
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