Drug Design

Drug Design

1st Edition - January 28, 1980

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  • Author: BAREHAM J
  • eBook ISBN: 9781483294834

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Description

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 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.

Table of Contents


  • 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

Product details

  • No. of pages: 374
  • Language: English
  • Copyright: © Academic Press 1980
  • Published: January 28, 1980
  • Imprint: Academic Press
  • eBook ISBN: 9781483294834

About the Author

BAREHAM J

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