Drug-Receptor Thermodynamics
Introduction and Applications
edited by Robert B. Raffa

Features:

• Covers an area of increasing interest and relevance in the field of drug design and discovery
• Excellent explanation of why thermodynamics is at the heart of drug action
• Contributions from many of the worlds leading experts in the field
• and much more!

Drug-Receptor Thermodynamics is the first book to provide in depth coverage of principles and applications of thermodynamic drug-receptor interactions. The book starts from familiar points, making thermodynamics accessible to anyone interested in how drugs work. The ideas presented cover general principles as well as laying the groundwork for new ways of examining drug action.

Anyone interested in drug receptor interaction will find something of use in this book. It is of particular relevance for pharmacologists, health science researchers and medicinal chemists.

Contents

1. Principles
   1. Introduction: On the Relevance of Thermodynamics to Pharmacology
   2. Mathematical Models of the Drug—Receptor Interaction: Theory of Drug Action
   3. Thermodynamic Concepts: Evolution and Applications
   4. A Brief History of Thermodynamics Terminology and Notation
   5. General Thermodynamic Definitions and Equations
   6. Thermodynamic Models of Drug—Receptor Interactions: A General Introduction
   7. Effector—Receptor Interactions: Origin and Development of Energetic Perspectives
   8. Measurement of Drug—Receptor Binding Constants
   9. Heat Capacity in Ligand—Receptor Interactions
   10. Early Applications of Thermodynamics to Drug—Receptor Interactions

2. Specific Applications
   11. Thermodynamics of Adenosine (A1 and A2A) Receptor Interactions
   12. Thermodynamics of Benzodiazepine Receptor Interactions
   13. Thermodynamics of Catecholamine Receptor Interactions
   14. Thermodynamics of Muscarinic Receptor Interactions
   15. Thermodynamics of Nicotonic Receptor Interactions
   16. Thermodynamics of Ionotropic GABAA, Glycine and 5-HT3-type Serotonin Receptor Interactions
   17. Thermodynamics of Opioid Receptor Interactions
   18. Thermodynamics of Serotonin Receptor Interactions
   19. Thermodynamics and Structural Basis of Insulin Receptor Interactions with Phosphotyrosine Binding Domains
   20. Thermodynamics of the Visual-pigment System
   21. Thermodynamics of Protein Modules Involved in Tyrosine Kinase Signaling Pathways
   22. Thermodynamics of Antibody-Fc-receptor Interactions: IgE and FcεRI, FCεII
   23. Metal Ion Binding to the Conantokins: Inhibitors of Ion Channel Opening of the NMDA Receptor

3. Methods/Advanced Concepts
   24. Direct Method for the Determination of Thermodynamic Quantities
   25. Enthalpy—Entropy Compensation and Solvent Reorganization
   26. Basics of Correlations: Relevance to Enthalpy—Entropy Compensation
   27. Thermodynamic Maps of Receptor—Ligand Pairs Reveal How Some Proteins Bind
   28. Thermodynamic Distributions of Heterogeneous Receptor Populations
   29. Protein-Ligand Docking as an Energy Optimization Problem
   30. Prediction of Ligand—Receptor Binding Thermodynamics by Free Energy Force Field (FEFF) 3D-QSAR Analysis
   31. Hydrophobic Mode-targeted, Algorithmically Designed Peptide Ligands as Modulators of Protein Thermodynamic Structure and Function
   32. Non-equilibrium Thermodynamics and Kinetics of the Multidrug Transporter
   33. Convergence of Recombinant Mutagenesis and Kinetics Interaction Analysis for Revealing Receptor Recognition Mechanisms and Designing Receptor Ligands

Index

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