Fragment screening: Biochemical assays versus NMR

Innovations in Pharmaceutical Technology

Volumn , Issue 23, 2007, Pages 19-22

  Barker, John ^a   Hesterkamp, Thomas ^b   Schade, Markus ^c   Whittaker, Mark ^d  

^a Structural Biology Team   (United Kingdom)

^b Biochemical Assays Group   (Germany)

^c Evotec

^d Group of Computational Chemistry and Structural Biology

Author keywords

[No Author keywords available]

Indexed keywords

ADENOSINE DIPHOSPHATE; ADENOSINE TRIPHOSPHATE; GYRASE INHIBITOR; LIGAND; MONOMER;

ARTICLE; BIOASSAY; CATALYSIS; CRYSTALLOGRAPHY; DRUG INDUSTRY; DRUG SCREENING; DRUG SYNTHESIS; DRUG TARGETING; FLUORESCENCE ANALYSIS; HIGH THROUGHPUT SCREENING; INTERMETHOD COMPARISON; LIGAND BINDING; MOLECULAR WEIGHT; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PHYSICAL CHEMISTRY; PROTEIN TARGETING; SIGNAL NOISE RATIO; STRUCTURE ACTIVITY RELATION; SURFACE PLASMON RESONANCE;

EID: 38949098089     PISSN: 14717204     EISSN: None     Source Type: Trade Journal    
DOI: None     Document Type: Article

References (12)

1. Hajduk PJ and Greer J, A decade of fragment-based drug discovery: strategic advances and lessons learned. Nature Rev Drug Discov 6: Pp211-219, 2007.
2. Hopkins AL et al., Ligand efficiency: A useful metric for lead selection, Drug Discov Today 9: Pp430-431, 2004.
3. Hajduk PJ, Fragment-based drug design: How big is too big? J Med Chem 49: Pp6972-6976, 2006.
4. Barker J et al., Fragment screening by biochemical assay, Expert Opin Drug Discov 1: Pp225-236, 2006.
5. Schade M and Oschkinat H, NMR fragment screening: Tackling protein-protein interaction targets, Curr Opin Drug Discov Devel 8: Pp365-373, 2005.
6. Schade M, NMR fragment screening: Advantages and applications. IDrugs 9: Pp110-113, 2006.
7. Boehm HJ et al., Novel inhibitors of DNA gyrase: 3D structure based biased needle screening, hit validation by biophysical methods and 3D guided optimization. A promising alternative to random screening. J Med Chem 43: Pp2664-2674, 2000.
8. Leach AR et al., Fragment screening: An introduction. Mol BioSyst 2: Pp429-446, 2006.
9. Armer RE and Cowley PM, Trends in Medicinal Chemistry 2004. Drug News Perspect 18, pp142-148, 2005.
10. Hajduk PJ et al., Druggability indices for protein targets derived from NMR-based screening data, J Med Chem 48: Pp2518-2525, 2005.
11. Joshi M et al., Discovery of Low-Molecular-Weight Ligands for the AF6 PDZ Domain, Angew Chem Int Ed pp3790-3795, 2006.
12. McGovern SL, et al. A Common Mechanism underlying promiscuous inhibitors from virtual and high-throughput screening. J Med Chem 45:pP1712-1722, 2002.