Fragment Based Drug Design: Tools, Practical Approaches, and Examples

Front Cover
Lawrence C. Kuo
Academic Press, Mar 9, 2011 - Medical - 645 pages

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
 

Selected pages

Contents

Contributors
xiii
Preface
xxi
Contents of previous volume
xxiii
Tools
1
Practical Approaches
157
Examples
381
Author Index
557
Subject Index
579
Color Plates
593
Copyright

Other editions - View all

Fragment Based Drug Design: Tools, Practical Approaches, and Examples

Limited preview - 2011
Fragment Based Drug Design: Tools, Practical Approaches, and Examples

No preview available - 2011

Common terms and phrases

acid active analysis approach atoms automated binders binding affinity binding mode binding sites Biol Biology biophysical buffer cell Chem chemical shift clogP complex compounds computational concentration crystal structures detection DMSO drug design Drug Discov drug discovery druggability Edited electron density enzyme experiments FBDD Figure fragment binding fragment hits fragment library fragment screening fragment-based drug discovery functional groups Hajduk high-throughput HSQC hydrogen bond hydrophobic identify indazole inhibitors injection interactions ketohexokinase kinase kinetics library design ligand ligand binding ligand efficiency maps medicinal chemistry methods molecular weight NESG NMR screening NOESY non-cHB optimization parameters plate primary library primary screen protein NMR protein structure protein targets receptor residues resonance RMSD sample secondary library selection signal small molecules soaking solubility solvent Sorafenib spectra Structural Genomics Structural Genomics Consortium structure determination surface surface plasmon resonance target protein tertiary library tion typically values X-ray crystallography

Bibliographic information

TitleFragment Based Drug Design: Tools, Practical Approaches, and Examples
Volume 493 of Fragment Based Drug Design
Methods in Enzymology
EditorLawrence C. Kuo
ContributorLawrence C. Kuo
Editionillustrated
PublisherAcademic Press, 2011
ISBN0123812747, 9780123812742
Length645 pages
Subjects ›  › 

Medical / Pharmacology
Medical / Pharmacy
Science / Life Sciences / Biochemistry
Science / Life Sciences / Biology
Science / Life Sciences / Cell Biology
Science / Life Sciences / Molecular Biology
  
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