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

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 sc...

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Veröffentlicht in:	PloS one 2012-03, Vol.7 (3), p.e32276-e32276
Hauptverfasser:	Obiol-Pardo, Cristian, Alcarraz-Vizán, Gema, Cascante, Marta, Rubio-Martinez, Jaime
Format:	Artikel
Sprache:	eng
Schlagworte:	Antineoplastic Agents - chemistry Antineoplastic Agents - metabolism Antineoplastic Agents - pharmacology Antineoplastic drugs Antitumor agents Binding sites Biology Biphenyl (Compound) Cancer Carbanilides - chemistry Carbanilides - metabolism Carbanilides - pharmacology Cell Survival - drug effects Chemistry Chemotherapy Computer Science Crystallography, X-Ray Càncer Dimerization Drug Evaluation, Preclinical Drugs Enzyme inhibitors Enzyme Inhibitors - chemistry Enzyme Inhibitors - metabolism Enzyme Inhibitors - pharmacology Enzymes HCT116 Cells HT29 Cells Humans Inhibidors enzimàtics Inhibitors Medical screening Medicine Mimicry Models, Molecular Monosaccharides Nucleic acids Pentose Pentose phosphate pathway Phosphates Protein Structure, Secondary Proteins Screening Structure-Activity Relationship Thermodynamics Thiamine Transketolase Transketolase - antagonists & inhibitors Transketolase - chemistry Transketolase - metabolism Urea User-Computer Interface Vitamin B
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