Quantitative Structure-Activity Relationships of Drugs

Quantitative Structure-Activity Relationships of Drugs

1st Edition - January 28, 1983

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  • Editor: John Topliss
  • eBook ISBN: 9780323146876

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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

  • Contributors


    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


Product details

  • No. of pages: 534
  • Language: English
  • Copyright: © Academic Press 1983
  • Published: January 28, 1983
  • Imprint: Academic Press
  • eBook ISBN: 9780323146876

About the Editor

John Topliss

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