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Issue 18, 2012
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Synthesis of 3-alkyl enol mimics inhibitors of type II dehydroquinase: factors influencing their inhibition potency

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Abstract

Several 3-alkylaryl mimics of the enol intermediate in the reaction catalyzed by type II dehydroquinase were synthesized to investigate the effect on the inhibition potency of replacing the oxygen atom in the side chain by a carbon atom. The length and the rigidity of the spacer was also studied. The inhibitory properties of the reported compounds against type II dehydroquinase from Mycobacterium tuberculosis and Helicobacter pylori are also reported. The binding modes of these analogs in the active site of both enzymes were studied by molecular docking using GOLD 5.0 and dynamic simulations studies.

Graphical abstract: Synthesis of 3-alkyl enol mimics inhibitors of type II dehydroquinase: factors influencing their inhibition potency

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Publication details

The article was received on 12 Dec 2011, accepted on 01 Mar 2012 and first published on 05 Mar 2012


Article type: Paper
DOI: 10.1039/C2OB07081B
Citation: Org. Biomol. Chem., 2012,10, 3662-3676
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    Synthesis of 3-alkyl enol mimics inhibitors of type II dehydroquinase: factors influencing their inhibition potency

    B. Blanco, A. Sedes, A. Peón, H. Lamb, A. R. Hawkins, L. Castedo and C. González-Bello, Org. Biomol. Chem., 2012, 10, 3662
    DOI: 10.1039/C2OB07081B

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