Fragment-based discovery of novel thymidylate synthase leads by NMR screening and group epitope mapping

Chemical Biology and Drug Design

Volumn 76, Issue 3, 2010, Pages 218-233

  Begley, Darren W ^a,b   Zheng, Suxin ^a,c   Varani, Gabriele ^a  

^a UNIVERSITY OF WASHINGTON   (United States)

^b Emerald BioStructures   (United States)

^c Shanghai Hengrui Pharmaceuticals Co Ltd   (China)

Author keywords

AutoDock; binding efficiency; FBDD; fragment based drug design; group epitope mapping; ILOE; saturation transfer difference; STD NMR; thymidylate synthase

Indexed keywords

10 PROPARGYL 5,8 DIDEAZAFOLIC ACID; EPITOPE; METESIND GLUCURONATE; METHOTREXATE; MV 1555; MV 1565; MV 1570; NOLATREXED; PEMETREXED; RALTITREXED; THYMIDYLATE SYNTHASE INHIBITOR; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; COMPUTER PROGRAM; DRUG POTENCY; DRUG PROTEIN BINDING; DRUG SCREENING; ENZYME INHIBITION; MOLECULAR DOCKING; NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL;

BINDING SITES; DRUG DESIGN; ENZYME INHIBITORS; EPITOPE MAPPING; HUMANS; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; PROTEIN CONFORMATION; STRUCTURE-ACTIVITY RELATIONSHIP; THYMIDYLATE SYNTHASE;

EID: 77955265556     PISSN: 17470277     EISSN: 17470285     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2010.01010.x     Document Type: Article

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