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

PLoS ONE

Volumn 7, Issue 3, 2012, Pages

  Obiol Pardo, Cristian ^a,b   Alcarraz Vizán, Gema ^a   Cascante, Marta ^a   Rubio Martinez, Jaime ^a  

^a UNIVERSITY OF BARCELONA   (Spain)

^b Intelligent Pharma SL   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

DIPHENYL UREA DERIVATIVE; HOMODIMER; MOLECULAR SCAFFOLD; TRANSKETOLASE; UNCLASSIFIED DRUG; UREA DERIVATIVE; ANTINEOPLASTIC AGENT; CARBANILIDE DERIVATIVE; ENZYME INHIBITOR;

ARTICLE; CELL VIABILITY; CONTROLLED STUDY; CRYSTAL STRUCTURE; DIMERIZATION; DRUG MECHANISM; DRUG STRUCTURE; ENZYME ASSAY; ENZYME BINDING; ENZYME INHIBITION; ENZYME STRUCTURE; IN VITRO STUDY; MOLECULAR INTERACTION; SCREENING TEST; STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS; VIRTUAL REALITY; CELL STRAIN HCT116; CELL STRAIN HT29; CELL SURVIVAL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER INTERFACE; DRUG ANTAGONISM; DRUG EFFECT; DRUG SCREENING; HUMAN; METABOLISM; PROTEIN SECONDARY STRUCTURE; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

ANTINEOPLASTIC AGENTS; CARBANILIDES; CELL SURVIVAL; CRYSTALLOGRAPHY, X-RAY; DRUG EVALUATION, PRECLINICAL; ENZYME INHIBITORS; HCT116 CELLS; HT29 CELLS; HUMANS; MODELS, MOLECULAR; PROTEIN STRUCTURE, SECONDARY; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS; TRANSKETOLASE; USER-COMPUTER INTERFACE;

EID: 84857747903     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0032276     Document Type: Article

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