Quantum Pharmacology - 2nd Edition - ISBN: 9780408709507, 9781483163673

Quantum Pharmacology

2nd Edition

Authors: W. G. Richards
eBook ISBN: 9781483163673
Imprint: Butterworth-Heinemann
Published Date: 2nd March 1983
Page Count: 288
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Quantum Pharmacology, Second Edition discusses molecular pharmacology, molecular quantum mechanics, and the applications of theory to experiment. The book reviews molecular and quantitative pharmacology, as well as acetylcholines, catecholamines, and histamines. The text also discusses the central nervous system in relation to monoamines, acetylcholines, amino acids, and peptides. The book explains wave functions and orbitals, secular equations, matrix elements, and self-consistent molecular orbitals. One way to improve wave functions as a result of a self-consistent field or as an approximate calculation, is to permit different configurations to interact. Linear mixing will lead to improved wave functions. The investigator can compute wave functions and energies of molecules for any set of nuclear coordinates. Quantum chemical calculations treat conformation as similar with geometry; calculations are performed for a series of positions in one part of a molecule relative to another. The investigator can then compare the energies found in each position. The book points out that calculations of conformational internal energy surfaces for flexible pharmacological molecules treating the molecule or ion as isolated in space fit in with observed results of crystallographic experiments. The text is suitable for pharmacologists, and scientists involved in molecular pharmacology, medicinal chemistry, and quantum chemistry.

Table of Contents

Preface to Second Edition

Preface to First Edition


Part I—Molecular Pharmacology

1 Small Molecules in Biology

2 Quantitative Pharmacology

3 Acetylcholine

4 Catecholamines

5 Histamine

6 Central Nervous System I. Monoamines and Acetylcholine

7 Central Nervous System II. Amino Acids and Peptides

8 Anaesthetics

9 Chemotherapy

10 Other Areas

Part II—Molecular Quantum Mechanics

11 Wave Functions and Orbitals

12 Approximate Wave Functions

13 Calculated Molecular Properties

14 Running a Calculation

Part III—Applications of Theory to Experiment

15 Conformations

16 Electronic Charge Distribution and Potential

17 Solvation

18 Entropy Effects

19 Activity Correlations

20 Enzymes as Receptors

21 Conclusions

Part IV—Bibliography



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© Butterworth-Heinemann 1983
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About the Author

W. G. Richards

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