Research and Markets: Fragment Based Drug Design. Tools, Practical Approaches, and Examples

DUBLIN--(BUSINESS WIRE)-- Research and Markets (http://www.researchandmarkets.com/research/3729ed/fragment_based_dru) has announced the addition of Elsevier Science and Technology's new report "Fragment Based Drug Design. Tools, Practical Approaches, and Examples" to their offering.

There are numerous excellent reviews on Fragment Based Drug Discovery (FBDD), but there are to date no hand-holding guides or protocols with which one can embark on this orthogonal approach to complement traditional high throughput screening methodologies. This Methods in Enzymology volume offers the tools, practical approaches, and hit-to-lead examples on how to conduct FBDD screens. The chapters in this volume cover methods that have proven to be successful in generating leads from fragments, including chapters on how to apply computational techniques, nuclear magnetic resonance, surface plasma resonance, thermal shift and binding assays, protein crystallography, and medicinal chemistry in FBDD. Also elaborated by experienced researchers in FBDD are sample preparations of fragments, proteins, and GPCR as well as examples of how to generate leads from hits.

Offers the tools, practical approaches, and hit-to-lead examples on how to conduct FBDD screens. The chapters in this volume cover methods that have proven to be successful in generating leads from fragments, including chapters on how to apply computational techniques, nuclear magnetic resonance, surface plasma resonance, thermal shift and binding assays, protein crystallography, and medicinal chemistry in FBDD.

Key Topics Covered:

Part I. Tools

• Designing a Diverse High Quality Library for Crystallography Based FBDD Screening
• Preparation of Protein Samples for NMR Structure, Function, and Small-Molecule Screening Studies
• Key Factors for Successful Generation of Protein-Fragment Structures: Requirements on Protein, Crystals, and Technology
• Automated Crystal Amplification and Compound Dispensation for FBDD Analysis 5. Hardware and Protocols for Rapid Fragment Based Structure Determination
• Using Computational Techniques in Fragment-Based Drug Discovery
• Computational Approaches to De Novo Discovery of Fragment Binding for Unprecedented Protein States

Part II. Practical Approaches

• How to Avoid Rediscovering the Known
• From Experimental Design to Data Analysis: A Comprehensive Walk-Through of Fragment Identification Using Surface Plasmon Resonance
• Practical Aspects of NMR Based Fragment Screening
• Fluorescent Protein Thermal Shifts to Identify Low Molecular Weight Fragments
• A HTS Reporter Displacement Assay for Fragment Screening and Fragment Evolution Towards Leads with Optimized Binding Affinity, Binding Kinetics, and Kinetic Selectivity
• Fragment Screening of Stabilized G-Protein Coupled Receptors Using Biophysical Methods
• Predicting the Success of a Fragment Screening by X-Ray Crystallography
• Fragment Screening Purely with Protein Crystallography
• Structure Density Relationship Based FBDD

Part III. Lead Generation Examples

• Lead Generation and Examples - Opinions Regarding How to Follow Up Hits
• High Throughput Thermodynamics for Selection of Fragment Hits and Guidance of Fragment Evolution
• Medicinal Chemistry Inspired Fragment Based Drug Discovery
• Experiences in Fragment-Based Lead Discovery
• Advancing Fragment Binders to Lead Like Compounds Using Ligand and Protein Based NMR Spectroscopy
• Effective Progression of NMR-Directed Fragment Hits Hugh Eaton
• Fragment Screening of Infectious Disease Targets in a Structural Genomics Environment Douglas Davies

Author: Kuo, Lawrence C..

For more information visit http://www.researchandmarkets.com/research/3729ed/fragment_based_dru