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Article

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2012

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cc-by (c) Obiol Pardo, C. et al., 2012
Please use this identifier to cite or link to this item: https://hdl.handle.net/2445/42659

Diphenyl urea derivatives as inhibitors of transketolase: a structure-based virtual screening.

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http://dx.doi.org/10.1371/journal.pone.0032276

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.

Subject

Inhibidors enzimàtics, Càncer

Subject (English)

Enzyme inhibitors, Cancer

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Articles publicats en revistes (Bioquímica i Biomedicina Molecular)

Citation

OBIOL PARDO, Cristian, et al. Diphenyl urea derivatives as inhibitors of transketolase: a structure-based virtual screening. PLoS One. 2012. Vol. 7, num. 3, pags. e32276. ISSN 1932-6203. [consulted: 12 of August of 2026]. Available at: https://hdl.handle.net/2445/42659

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