Quantitative Structure-Activity Relationships of Drugs - 1st Edition - ISBN: 9780126951509, 9780323146876

Quantitative Structure-Activity Relationships of Drugs

1st Edition

Editors: John Topliss
eBook ISBN: 9780323146876
Imprint: Academic Press
Published Date: 28th January 1983
Page Count: 534
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Medicinal Chemistry, Volume 19: Quantitative Structure-Activity Relationships of Drugs is a critical review of the applications of various quantitative structure-activity relationship (QSAR) methodologies in different drug therapeutic areas and discusses the results in terms of their contribution to medicinal chemistry. After briefly describing the developments in QSAR research, this 12-chapter volume goes on discussing the contributions of QSAR methodology in elucidating drug action and rational development of drugs against bacterial, fungal, viral, and other parasitic infections of man. Other chapters explore the mode of action and QSAR of antitumor, cardiovascular, antiallergic, antiulcer, antiarthritic, and nonsteroidal antiinflammatory drugs (NSAID) agents. The discussion then shifts to the pharmacologic effects and QSAR analysis of central nervous system agents, steroids, and other hormones. A chapter examines the major chemicals affecting insects and mites, with particular emphasis on the parameters of binding correlation and reactivity for insect and mite enzymes. The concluding chapters cover the limitations of the QSAR approach in the quantitative treatment of drug absorption, distribution, and metabolism. This volume is of great value to medicinal chemists, scientists, and researchers.

Table of Contents



1. Introduction: A Review of QSAR Methodology

I. Introduction

II. Free Energy Models

III. Free-Wilson Mathematical Model

IV. Other Statistical Models

V. Pattern Recognition

VI. Topological Methods

VII. Experimental Design

VIII. Quantum Mechanical Methods

IX. Molecular Modeling

X. Conclusion


2. Synthetic Antiinfective Agents

I. Introduction

II. Antimicrobial Activity and Membrane Damage

III. Antibacterial Drugs

IV. Antifungal Drugs

V. Antimalarial Drugs

VI. Schistosomicidal Drugs

VII. Trichomonicidal Drugs

VIII. Antiviral Drugs

IX. Overview


3. Semisynthetic Antibiotics

I. Introduction

II. Inhibitors of Bacterial Protein Synthesis

III. Inhibitors of Nucleic Acid Synthesis

IV. Inhibitors of Cell Wall Biosynthesis: β-Lactam Antibiotics

V. Analysis of Several Cases

VI. Commentary on the Contribution of QSAR to the Study of Antibiotics


4. Antitumor Agents

I. Introduction

II. Quantitative Structure-Activity Relationships of Antitumor Compounds

III. Conclusion


5. Cardiovascular Agents

I. Introduction

II. Antianginal Agents

III. Antihypertensives

IV. Antiarrhythmics

V. Inotropic Agents

VI. Concluding Remarks


6. Antiallergic and Antiulcer Agents

I. Introduction

II. Histamine

III. Prostaglandins

IV. β-Adrenergic Agents

V. Regulatory Peptides

VI. Inhibitors of the Passive Cutaneous Anaphylactic (PCA) Response

VII. Miscellaneous Studies

VIII. Conclusion


7. Nonsteroidal Antiinflammatory and Antiarthritic Drugs

I. Introduction

II. Measuring Antiinflammatory Activity

III. Salicylates

IV. Phenols

V. Anthranilic Acids

VI. Enolic Compounds

VII. Carboxylic Acids

VIII. Conformational Studies of Aralkanoic Acids

IX. Miscellaneous Structures

X. Immunoregulant Agents

XI. Summary


8. Agents Affecting the Central Nervous System

I. Introduction

II. Analgesics

III. General Inhalation Anesthetics

IV. Antidepressants

V. Convulsants and Anticonvulsants

VI. Neuroleptics

VII. Psychotomimetics

VIII. Overview


9. Steroids and Other Hormones

I. Introduction and Scope

II. Steroids

III. Thyroid Hormones

IV. Peptide Hormones

V. Summary


10. Chemicals Affecting Insects and Mites

I. Introduction

II. Chemicals Affecting Insects and Mites

III. Summary


11. Absorption, Distribution, and Metabolism of Drugs

I. The Significance of Quantitative Relationships between Structure and Pharmacokinetic Properties of Chemical Compounds

II. Quantitative Relationships between Chemical Structure and Pharmacokinetic Properties

III. Conclusions


12. Commentary



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© Academic Press 1983
Academic Press
eBook ISBN:

About the Editor

John Topliss

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