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Book Cover
E-book
Author Jhoti, Harren

Title Fragment-Based Drug Discovery
Published Cambridge : Royal Society of Chemistry, 2015

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Description 1 online resource (314 pages)
Series RSC Drug Discovery
RSC drug discovery series.
Contents 880-01 Cover ; Fragment-Based Drug Discovery; Foreword ; Preface ; Contents; Personal Essay: Fragments in the Blogosphere; 1 Introduction; 2 A Living Review; 3 Warning Signs and Guideposts; 4 A Mirror for the Community; 5 Beyond Practical Fragments: Fragments in the Broader Social Media; Acknowledgements; References; Personal Essay: Adventures and Experiences in Fragment-Based Drug Discovery; 1 In the Beginning; 2 We are all Brought up to be Fragment Practitioners; 3 Setting up Fragment Screening at RiboTargets/Vernalis; 3.1 Targeting Hsp90
880-01/(S 4 The Future of Fragment-Based Methods -- The Future is Now4.1 Challenging Targets; 4.1.1 β-Site Amyloid Precursor Protein Cleaving Enzyme 1; 4.1.2 G Protein-Coupled Receptors; 4.1.3 Protein-Protein Interactions; 4.1.4 Allosteric Site Inhibitors; 4.2 Progress in the Absence of Crystal Structures; 4.3 New, Novel Different Fragments; 5 Fragment Discovery Outside Industry; 6 Summary; References; Chapter 1 -- Different Flavours of Fragments; 1.1 Fragment-Based Drug Discovery; 1.2 Different Types of Fragments; 1.3 How We Identify Fragments; 1.4 Selectivity; 1.5 Applications of Fragment-Based Methods
1.5.1 Assigning Function1.5.2 Assessing Ligandability; 1.5.3 Speeding Up Chemical Validation; 1.6 Targeting Protein-Protein Interactions and Beyond; 1.7 Targeting Oligonucleotides; 1.8 Concluding Remarks; References; Chapter 2 -- Getting the Most Value from Your Screens: Advances in Hardware, Software, and Methodologies to Enhance Surface Plasmon Resonance Based Fragment Screening and Hit-to-Lead Support; 2.1 Introduction; 2.2 SPR Technology as Applied to FBS; 2.3 The Basic Screening Cascade; 2.4 Advances in Data Reduction and Active Selection in Primary Screening
2.4.1 Robust Drift Correction by Local Estimation2.4.2 Method #1 for Hit Detection: Box Plots; 2.4.3 Method #2 for Hit Detection: Normal-Exponential Convolution Model; 2.4.4 Implementation and Automation in R; 2.5 High-Throughput Competition Experiments for Binding Site and MOA Studies; 2.5.1 Configuring SPR-Competition Assays; 2.5.2 A Quantitative Specificity Metric for Selecting Competitive Compounds; 2.6 Hardware Improvements; 2.6.1 SensiQ Pioneer Hardware and Novel Types of Injections; 2.6.2 Screening by Gradient Injections: Hardware and Software Integration; 2.7 Conclusions; References
Chapter 3 -- Applications of NMR in Fragment-Based Drug Design3.1 Introduction; 3.2 Ligand-Observed Experiments; 3.2.1 STD Experiments; 3.2.1.1 Principle and Experimental Conditions; 3.2.1.2 Recent Pulse Sequence Development; 3.2.1.3 STD as a Tool for Fragment Screening and Fragment Ranking; 3.2.1.4 STD as a Tool for Binding-Mode Assessment; 3.2.2 WaterLOGSY Experiments; 3.2.2.1 Principle and Experimental Conditions; 3.2.2.2 Recent Pulse Sequence Development; 3.2.2.3 WaterLOGSY as a Tool For Fragment Screening and Fragment Ranking; 3.2.2.4 WaterLOGSY as a Tool for Binding-Mode Assessment
3.2.3 Other Applications of STD and WaterLOGSY Experiments
Summary This book will prove to be an invaluable resource for medicinal chemists working in academia and industry, as well as anyone interested in drug discovery techniques
Notes English
Print version record
Subject Drug development.
Ligands (Biochemistry)
Ligands.
Pharmaceutical chemistry.
Chemistry.
Pharmacology.
Life sciences.
Physical sciences.
Drug Discovery
Ligands
Chemistry, Pharmaceutical
Laboratory Chemicals
Investigative Techniques
Specialty Uses of Chemicals
Analytical, Diagnostic and Therapeutic Techniques and Equipment
Chemistry
Pharmacology
Biological Science Disciplines
Natural Science Disciplines
Chemical Actions and Uses
Chemicals and Drugs
Disciplines and Occupations
chemistry.
pharmacology.
biological sciences.
physical sciences.
Physical sciences
Pharmacology
Pharmaceutical chemistry
Ligands
Life sciences
Chemistry
Drug development
Ligands (Biochemistry)
Form Electronic book
Author Drysdale, Martin
Erlanson, Daniel A
Giannetti, Tony
Krimm, Isabelle
Hann, Michael
Kutchukian, Peter
Hughes, Terry
Spry, Christina
De Esch, Iwan
ISBN 1849739080
9781849739085
9781782620938
1782620931
Other Titles Drug Discovery
RSC Drug Discovery