Fragment-Based Drug Discovery.

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.

Bibliographic Details
Main Author:	Jhoti, Harren
Other Authors:	De Esch, Iwan, Drysdale, Martin, Erlanson, Daniel A., Giannetti, Tony, Hann, Michael, Hughes, Terry, Krimm, Isabelle, Kutchukian, Peter, Spry, Christina
Format:	eBook
Language:	English
Language Notes:	English.
Published:	Cambridge : Royal Society of Chemistry, 2015.
Series:	RSC drug discovery series.
Subjects:	Drug development. Ligands (Biochemistry) Biological Science Disciplines. Chemical Actions and Uses. Chemistry, Pharmaceutical. Chemistry. Drug Discovery. Investigative Techniques. Laboratory Chemicals. Ligands. Natural Science Disciplines. Pharmacology. Specialty Uses of Chemicals. Health & Biological Sciences. Pharmacy, Therapeutics, & Pharmacology. Electronic books.
Online Access:	Connect to the full text of this electronic book

Table of Contents:

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.
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.