Table of Contents
DRUG DESIGN AND DISCOVERY: AN OVERVIEW
Lester A. Mitscher
What Kinds of Compounds Become Drugs?
Preparation and Organization for Drug Seeking
Sources of Hits, Leads, and Candidate Drugs
Cell Biology and Genomics as a source of Drug Targets
ROLE OF MOLECULAR RECOGNITION IN DRUG DESIGN
Peter Andrews and Michael Dooley
Thermodynamic Considerations of Drug Binding
The Physical Basis of Intermolecular interaction
The Total Energy of Intermolecular interaction
Estimating Individual Group Components in Ligand-Receptor Interactions and Co-
Some Rules of Thumb
STEREOCHEMISTRY IN DRUG DESIGN
Ian J. Kennedy and David E. Jane
What Are Stereoisomers?
The Origin of Stereospecificity in Molecular Recognition
Why is Stereochemistry Important in Drug Design?
Methods of Obtaining Pure Stereoisomers
Analytical Methods of Determining Purity of Stereoisomers
COMPUTER-AIDED DEVELOPMENT OF THREE-DIMENSIONAL PHARMACOPHORE MODELS
Tommy Liljefors and Ingrid Petterson
Structure-and Pharmacophore-Based Ligand Design
The Pharmacophore Concept
Basic Principles and a Step-By-Step Procedure
Pharmacophore Elements and Their Representations
The Receptor-Bound or 'Active' Conformation
Receptor-Excluded and Receptor-Essential Volumes
Examples of 3D-Pharmacophore Models and Their Use
QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS AND EXPERIMENTAL DESIGN
Ulf Norinder and Thomas Hoberg
Applications of Hansch Equations
RECEPTORS: STRUCTURE, FUNCTION AND PHARMACOLOGY
Receptor Structure and Function
"Describing all facets of modern drug design and development, this major textbook is an invaluable source of information for students of chemistry, phamacology, pharmacy, medicinal chemistry, medicine and biochemistry at all levels…Almost every page is illustrated with figures, tables and structural formulae."
"A well-structured and informative book…"
S. Damment, Glaxo, Newsletter of British Society for Toxicology
"Excellent book…The editors set a high standard."
Professor Graham Johnston, TiPS
"…a good and substantial book…good introductions to many aspects of a complex subject…"
Chris Ramsden, Chemistry and Industry