Ontology highlight
ABSTRACT:
SUBMITTER: Obiol-Pardo C
PROVIDER: S-EPMC3293897 | biostudies-literature | 2012
REPOSITORIES: biostudies-literature
Obiol-Pardo Cristian C Alcarraz-Vizán Gema G Cascante Marta M Rubio-Martinez Jaime J
PloS one 20120305 3
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 ...[more]