1. Edition - July 2006
185.- Euro
2006. XXII, 369 Pages, Hardcover
136 Fig. (48 Colored Fig.), 18 Tab. 
- Handbook/Reference Book -
ISBN-10: 3-527-31291-9
ISBN-13: 978-3-527-31291-7 - Wiley-VCH, Weinheim






Sample Chapter



Short description
Discover the modular approach to ligand design! Latest technologies and strategies for fragment-based approaches in the screening and design of pharmaceutically active compounds are discussed here, including numerous case studies.


From the contents
PART 1: CONCEPT AND THEORY
The concept of fragment-based ligand design
Multivalency in Ligand Design
Entropic consequences of linking ligands
Location of Binding Sites on Proteins by the Multiple Solvent Crystal Structure Method
PART 2: FRAGMENT LIBRARY DESIGN AND COMPUTATIONAL APPROACHES
Cheminformatics approaches to fragment-based lead discovery
Structural fragments from marketed oral drugs
Fragment docking to proteins with the multi-copy simultaneous search (MCSS) methodology
PART 3: EXPERIMENTAL TECHNIQUES
NMR - guided fragment assembly
SAR by NMR: an analysis of ptency gains realized through fragment-linking and fragment-elaboration strategies for lead generation
Pyramid: an integrated platform for fragment-based drug discovery
Fragment-based lead discovery and optimization using X-ray crystallography
Synergistic use of protein crystallography and solution-phase NMR spectroscopy in structure-based drug design: strategies and tactics
Ligand SAR using electrospray ionization mass spectrometry
Tethering
PART 4: EMERGING TECHNOLOGIES
Click chemistry for drug discovery
Dynamic combinatorial diversity in drug discovery