Fragment-based drug design : tools, practical approaches, and examples /

• Άλλοι συγγραφείς: Kuo, Lawrence C.
• Μορφή: Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Amsterdam ; Boston, Mass. : Academic Press, ©2011.
• Έκδοση: 1st ed.
• Σειρά: Methods in enzymology ; v. 493.
• Θέματα: Drugs > Design.; Drug development.; Drugs > Research.; MEDICAL > Drug Guides.; MEDICAL > Pharmacology.; MEDICAL > Pharmacy.; MEDICAL > Nursing > Pharmacology.; Drug Design.; Evaluation Studies as Topic.; Electronic books.

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 th...

Πίνακας περιεχομένων:

• 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 requirement on protein, crystals, and technology
• Predicting the success of fragment screening by X-ray crystallography
• Fragment screening of stabilized G-protein-coupled receptors using biophysical methods
• Using computational techniques in fragment-based drug discovery
• How to avoid rediscovering the known
• From experimental design to validated hits a comprehensive walk-through of fragment lead identification using surface plasmon resonance
• Practical aspects of NMR-based fragment screening
• Binding site identification and structure determination of protein-ligand complexes by NMR a semiautomated approach
• Protein thermal shifts to identify low molecular weight fragments
• HTS reporter displacement assay for fragment screening and fragment evolution toward leads with optimized binding kinetics, binding selectivity, and thermodynamic signature
• Fragment screening purely with protein crystallography
• Computational approach to de novo discovery of fragment binding for novel protein states
• Lead generation and examples opinion regarding how to follow up hits
• Medicinal chemistry inspired fragment-based drug discovery
• Effective progression of nuclear magnetic resonance-detected fragment hits
• Advancing fragment binders to lead-like compounds using ligand and protein-based NMR spectroscopy
• Electron density guided fragment-based drug design--a lead generation example
• Experiences in fragment-based lead discovery
• Fragment screening of infectious disease targets in a structural genomics environment.