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

Robert B. Raffa is the author of Drug-Receptor Thermodynamics: Introduction and Applications, published by Wiley.

Contributors

xi

Foreword

xvii

Ronald J. Tallarida

Preface

xix

Section I: Principles

Introduction: on the Relevance of Thermodynamics to Pharmacology

3

(10)

Robert B. Raffa

Mathematical Models of the Drug-Receptor Interaction: Theory of Drug Action

13

(18)

Ronald J. Tallarida

Thermodynamic Concepts: Evolution and Applications

31

(24)

Irving M. Klotz

A Brief History of Thermodynamics Terminology and Notation

55

(6)

Rubin Battino

General Thermodynamic Definitions and Equations

61

(22)

Ihtshamul Haq

Ronan R. J. O'Brien

John E. Ladbury

Thermodynamic Models of Drug-Receptor Interactions: a General Introduction

83

(22)

Gerhard Klebe

Frank Dullweber

Hans-Joachim Bohm

Effector-Receptor Interactions: Origin and Development of Energetic Perspectives

105

(22)

Irving M. Klotz

Measurement of Drug-Receptor Binding Constants

127

(36)

Donald J. Winzor

William H. Sawyer

Heat Capacity in Ligand-Receptor Interactions

163

(42)

Vladimir Pliska

Early Applications of Thermodynamics to Drug-Receptor Interactions

205

(14)

Robert B. Raffa

Section II: Specific Applications

219

(315)

Thermodynamics of Adenosine (A1 and A2A) Receptor Interactions

221

(24)

Pier A. Borea

Katia Varani

Stefania Gessi

Paola Gilli

Alessandro Dalpiaz

Thermodynamics of Benzodiazepine Receptor Interactions

245

(14)

Robert B. Raffa

Thermodynamics of Catecholamine Receptor Interactions

259

(22)

Gregory A. Weiland

Thermodynamics of Muscarinic Receptor Interactions

281

(12)

Yves Landry

Jean-Pierre Gies

Thermodynamics of Nicotinic Receptor Interactions

293

(66)

Hugo R. Arias

Thermodynamics of Ionotropic GABAA, Glycine and 5-HT3-type Serotonin Receptor Interactions

359

(18)

Gabor Maksay

Thermodynamics of Opioid Receptor Interactions

377

(14)

Robert B. Raffa

Thermodynamics of Serotonin Receptor Interactions

391

(26)

Alessandro Dalpiaz

Stefania Gessi

Katia Varani

Pier A. Borea

Gastone Gilli

Thermodynamics and Structural Basis of Insulin Receptor Interactions with Phosphotyrosine Binding Domains

417

(16)

Amjad Farooq

Ming-Ming Zhou

Thermodynamics of the Visual-pigment System

433

(18)

Etsuro Ito

Hideo Suzuki

Thermodynamics of Protein Modules Involved in Tyrosine Kinase Signaling Pathways

451

(20)

J. Michael Bradshaw

Richard A. Grucza

Gabriel Waksman

Thermodynamics of Antibody-Fc-receptor Interactions: IgE and Fc&epsis;RI, FC&epsis;II

471

(28)

Rodolfo Ghirlando

Hannah J. Gould

Metal Ion Binding to the Conantokins: Inhibitors of Ion Channel Opening of the NMDA Receptor

499

(35)

Mary Prorok

Francis J. Castellino

Section III: Methods/ Advanced Concepts

534

(233)

Direct Method for the Determination of Thermodynamic Quantities

537

(16)

Ronan R. J. O'Brien

Ihtshamul Haq

John E. Ladbury

Enthalpy-Entropy Compensation and Solvent Reorganization

553

(22)

Ernest Grunwald

Basics of Correlations: Relevance to Enthalpy-Entropy Compensation

575

(6)

Robert B. Raffa

Ronald J. Tallarida

Thermodynamic Maps of Receptor-Ligand Pairs Reveal How Some Proteins Bind

581

(12)

Carlos J. Camacho

Charles DeLisi

Sandor Vajda

Thermodynamic Distributions of Heterogeneous Receptor Populations

593

(10)

Marco V. Jose

Jorge V. Jose

Protein-Ligand Docking as an Energy Optimization Problem

603

(22)

Maxim Totrov

Ruben Abagyan

Prediction of Ligand-Receptor Binding Thermodynamics by Free Energy Force Field (FEFF) 3D-QSAR Analysis

625

(30)

John S. Tokarski

Hydrophobic Mode-targeted, Algorithmically Designed Peptide Ligands as Modulators of Protein Thermodynamic Structure and Function

655

(46)

Arnold J. Mandell

Karen A. Selz

Michael J. Owens

Michael F. Shlesinger

David A. Gutman

Vani Arcuragi

Non-equilibrium Thermodynamics and Kinetics of the Multidrug Transporter

701

(40)

S. Roy Caplan

Rose M. Johnstone

Convergence of Recombinant Mutagenesis and Kinetics Interaction Analysis for Revealing Receptor Recognition Mechanisms and Designing Receptor Ligands

741

(26)

Irwin M. Chaiken

Sheng-Jiun Wu

Carmela Plugariu

Wentao Zhang

Chuanzhao Li

Cynthia Dowd

Index

767

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