Thursday, 20 November 2008

A few more general review articles on FBDD

Current Opinion in Chemical Biology has published several mini reviews in FBDD.  This one by the folks at Astex is short, but touches on both NMR and X-ray crystallographic approaches to FBDD:

Jhoti H, et al.  Fragment-based screening using X-ray crystallography and NMR spectroscopy.  Curr Opin Chem Biol. (2007) 11:485-493

In the same vein is a paper from Teddy Zartler at Merck that also discusses the concept of ligand efficiency in FBDD:

Zartler ER and MJ Shapiro.  Fragonomics: fragment-based drug discovery. Curr Opin Chem Biol. (2005) 9:366-370  

Tethering, an alternate approach to FBDD pioneered by Sunesis Pharmaceuticals, is discussed in this review: 

Erlanson DA and SK Hansen.  Making drugs on proteins: site-directed ligand discovery for fragment based assembly.  Curr Opin Chem Biol.  (2004) 8:399-406.

Tuesday, 11 November 2008

NMR

A variety of NMR approaches can be used to detect and quantify binding of fragments to their targets.

Lepre, Moore & Peng, Theory and Applications of NMR-Based Screening in Pharmaceutical Research Chem Rev 2004, 104, 3641-3675 DOI

Stockman & Dalvit, NMR screening techniques in drug discovery and drug design. Prog. NMR Spec. 2002, 41, 187-231. DOI

Dalvit et al, WaterLOGSY as a method for primary NMR screening: Practical aspects and range of applicability, J. Biomol. NMR 2001, 21, 349-359 DOI

Fielding, Determination of association constants (Ka) from solution NMR data, Tetrahedron 2000, 56, 6151-6170 DOI

Shuker et al, Discovering High-Affinity Ligands for Proteins: SAR by NMR, Science 1996, 274, 1531-1534 DOI

Monday, 10 November 2008

General FBDD Reviews: Pete's selections

There is plenty of review literature on FBDD and the following articles should provide a good introduction to the field.

Hesterkamp & Whittaker, Fragment-based activity space: Smaller is better. Curr. Opin. Chem. Biol. 2008, 12, 260-268. DOI

Congreve et al, Recent Developments in Fragment-Based Drug Discovery, J. Med. Chem. 2008, 51, 3661-3680 DOI

Hajduk & Greer, A decade of fragment-based drug design: strategic advances and lessons learned Nat. Rev. Drug Discov. 2007, 6, 211-219 DOI

Albert et al, An Integrated Approach to Fragment Based Lead Generation: Philosophy, Strategy and Case Studies from AstraZeneca's Drug Discovery Programs Curr. Top. Med. Chem. 2007, 7, 1600-1629 link

Erlanson et al, Fragment-Based Drug Discovery J. Med. Chem. 2004, 47, 3463-3482 DOI