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Title: Diphenyl urea derivatives as inhibitors of transketolase: a structure-based virtual screening.
Author: Obiol Pardo, Cristian
Alcarráz Vizán, Gemma
Cascante i Serratosa, Marta
Rubio Martínez, Jaime
Keywords: Inhibidors enzimàtics
Enzyme inhibitors
Issue Date: 2012
Publisher: Public Library of Science (PLoS)
Abstract: 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.
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It is part of: PLoS One, 2012, vol. 7, num. 3, p. e32276
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ISSN: 1932-6203
Appears in Collections:Articles publicats en revistes (Bioquímica i Biomedicina Molecular)

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