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

Lookup NU author(s): Professor Alastair Hawkins

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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.

Publication metadata

Author(s): Blanco B, Sedes A, Peon A, Lamb H, Hawkins AR, Castedo L, Gonzalez-Bello C

Publication type: Article

Publication status: Published

Journal: Organic & Biomolecular Chemistry

Year: 2012

Volume: 10

Issue: 18

Pages: 3662-3676

Print publication date: 05/03/2012

ISSN (print): 1477-0520

ISSN (electronic): 1477-0539

Publisher: Royal Society of Chemistry

URL: http://dx.doi.org/10.1039/c2ob07081b

DOI: 10.1039/c2ob07081b

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