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Diphenyl urea derivatives as inhibitors of transketolase: a structure-based virtual screening.
Obiol Pardo, Cristian; Alcarráz Vizán, Gemma; Cascante i Serratosa, Marta; Rubio Martínez, Jaime
Universitat de Barcelona
Transketolase is an enzyme involved in a critical step of the non-oxidative branch of the pentose phosphate pathway whose inhibition could lead to new anticancer drugs. Here, we report new human transketolase inhibitors, based on the phenyl urea scaffold, found by applying structure-based virtual screening. These inhibitors are designed to cover a hot spot in the dimerization interface of the homodimer of the enzyme, providing for the first time compounds with a suggested novel binding mode not based on mimicking the thiamine pyrophosphate cofactor.
Inhibidors enzimàtics
Càncer
Enzyme inhibitors
Cancer
cc-by (c) Obiol Pardo, C. et al., 2012
http://creativecommons.org/licenses/by/3.0/es
Artículo
info:eu-repo/semantics/publishedVersion
Public Library of Science (PLoS)
         

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