Drug Design
- 1st Edition, Volume 9 - January 28, 1980
- Imprint: Academic Press
- Author: BAREHAM BAREHAM J
- Language: English
- Paperback ISBN:9 7 8 - 1 - 4 9 3 3 - 0 4 4 5 - 5
- eBook ISBN:9 7 8 - 1 - 4 8 3 2 - 9 4 8 3 - 4
Drug Design, Volume IX examines various aspects of drug design and covers topics ranging from the consequences of the Hansch paradigm for the pharmaceutical industry to the Masca… Read more
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Request a sales quoteDrug Design, Volume IX examines various aspects of drug design and covers topics ranging from the consequences of the Hansch paradigm for the pharmaceutical industry to the Masca model of pharmacochemistry. A physicochemical basis for the design of orally active prodrugs is also considered, along with the use of interactive graphics in medicinal chemistry. Comprised of seven chapters, this volume begins with a discussion on efforts to avoid toxicity, not only of drugs, pesticides, and food additives but also of chemicals in general. The reader is then introduced to various aspects of the development of bioactive agents, including the optimization of existing agents by the design of more efficient prodrugs. Other chapters focus on Hansch's paradigm and its application to industrial practice; the application of multivariate statistics to pharmacochemistry; a logico-structural approach to computer-assisted drug design; and spatial arrangements in bioactive molecules. This book will be of interest to pharmacologists, chemists, and those involved in drug design.
List of Contributors
Preface
Contents of Other Volumes
Chapter 1. Design of Safer Chemicals
I. Introduction
II. Toxic Action
III. The Exposure Phase
IV. The Toxokinetic Phase
V. The Toxodynamic Phase
VI. Relationship between Structure and Toxic Activity
VII. Conclusions
References
Chapter 2. Consequences of the Hansch Paradigm for the Pharmaceutical Industry
I. Introduction
II. Design of Biological Experiments
III. Search for New Leads: The Impossible Dream
IV. Optimization of Lead: An Interactive Approach
V. Drug Designer as "Interlocutor VI. Methodology
VII. Conclusions
References
Chapter 3. A Physical Chemical Basis for the Design of Orally Active Prodrugs
I. Introduction
II. Factors Governing Drug Efficiency
III. Approaches to Improved Drug Efficiency
IV. Controlling Physical Properties of Nonelectrolytes
V. Controlling Physical Properties of Weak Electrolytes
VI. Examples of Improved Drug Efficiency
VII. Solubility-Limited Absorption
VIII. Metabolism-Limited Bioavailability
IX. Design of Prodrug Lability
X. Summary and Overview
References
Chapter 4. The Masca Model of Pharmacochemistry: 1. Multivariate Statistics
I. Introduction
II. General Remarks on Multivariate Statistics
III. Multivariate Bioassay
IV. Reduction of Dimensionality (Principal Component Analysis)
V. Multivariate Structure-Activity Analysis
VI. Numerical Examples
VII. Discussion
References
Chapter 5. Rationales in the Design of Rectal and Vaginal Delivery Forms of Drugs
I. General Introduction
II. Rectal Delivery Forms
III. Vaginal Delivery Forms
References
Chapter 6. Interactive Graphics in Medicinal Chemistry
I. Introduction
II. Applications of Interactive Graphics
III. Hardware and Software
IV. Data Bases and Information-Retrieval Techniques
V. Properties of Molecules and Crystals
VI. Molecular Interactions
VII. A Digital Approach to Drug Design
VIII. Summary
References
Chapter 7. Logico-Structural Approach to Computer-Assisted Drug Design
I. Introduction
II. General Principles of Logico-Structural Approach
III. Activity Feature Selection within Series of Chemical Compounds
IV. Activity Prediction Using a Data Base on Chemical Structure and Biological Activity
V. Selection of Topological and Topographical Activity Features
VI. Conclusions
References
Index
- Edition: 1
- Volume: 9
- Published: January 28, 1980
- No. of pages (eBook): 374
- Imprint: Academic Press
- Language: English
- Paperback ISBN: 9781493304455
- eBook ISBN: 9781483294834
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