QSAR and Drug Design: New Developments and Applications (eBook)

H. Timmerman (Autor)

T. Fujita (Herausgeber)

eBook Download: PDF

1995 | 1. Auflage
490 Seiten
Elsevier Science (Verlag)
978-0-08-054500-4 (ISBN)

Infos

Based on topics presented at the Annual Japanese (Quantitative) Structure-Activity Relationship Symposium and the Biennial China-Japan Drug Design and Development conference, the topics in this volume cover almost every procedure and subdiscipline in the SAR discipline.

They are categorized in three sections. Section one includes topics illustrating newer methodologies relating to ligand-receptor, molecular graphics and receptor modelling as well as the three-dimensional (Q)SAR examples with the active analogue approach and the comparative molecular field analysis. In section 2 the hydrophobicity parameters, log P (1-octanol/water) for compound series of medicinal-chemical interest are analysed physico-organic chemically. Section 3 contains the examples based on the traditional Hansch QSAR approach.

A variety of methodologies and procedures are presented in this single volume, along with their methodological philosophies.

Inhalt

Front Cover 1
QSAR and Drug Design: New Developments and Applications 4
Copyright Page 5
Contents 14
Preface 10
Section I: Three-Dimensional Structure-Based Drug Design, Molecular Modelling and Three-Dimensional QSAR 16
Chapter 1. Rational Approaches to Computer Drug Design Based on Drug-Receptor Interactions 18
Chapter 2. Drug Design Based on Receptor Modeling Using a System "BIOCES(E)" 64
Chapter 3. Mechanisms of the Selective Inhibition of Thrombin, Factor Xa, Plasmin and Trypsin 98
Chapter 4. Three-Dimensional Structure-Activity Relationships and Receptor Mapping of Quinolone Antibacterials 112
Chapter 5. Classical and Three-Dimensional Quantitative Structure-Activity Analyses of Steroid Hormones: Structure-Receptor Binding Patterns of Anti-hormonal Drug Candidates 140
Section II: Quantitative Structure-Parameter Analyses and Database-Oriented and Newer Statistical (Q)SAR Procedures and Drug Design 166
Chapter 6. Analysis and Prediction of 1-Octanol/Water Partition Coefficients of Substituted Diazines with Substituent and Structural Parameters 168
Chapter 7. Hydrophobicities of Di-to Pentapeptides Having Unionizable Side Chains and Correlation with Substituent and Structural Parameters 200
Chapter 8. Analysis of Amino Acid Sequence-Function Relationships in Proteins 230
Chapter 9. Background and Features of EMIL, A System for Database-Aided Bioanalogous Structural Transformation of Bioactive Compounds 250
Chapter 10. Fuzzy Adaptive Least Squares and its Use in Quantitative Structure- Activity Relationships 290
Sevtion III: Traditional QSAR and Drug Design. 312
Chapter 11. Structure-Activity Relationships in Medicinal Chemistry: Development of Drug Candidates from Lead Compounds 356
Chapter 12. Chemical Modification and Structure-Activity Relationship Studies of Piperine and its Analogs: An Example of Drug Development from Folk Medicine 336
Chapter 13. Structural Requirements of Leukotriene Antagonists 356
Chapter 14. Quantitative Structure-Activity Relationships of a New Class of Ca2+-Antagonistic and a –Blocking Phenoxyalkylamine Derivatives 384
Chapter 15. Applications of Quantitative Structure-Activity Relationships to Drug Design of Piperazine Derivatives 428
Chapter 16. Quantitative Structure-Activity Studies of Neurotoxic Acrylamide Analogs 466
Subject index 496

Produkt-Details

• Erscheint lt. Verlag: 20.11.1995
• Sprache: englisch
• Themenwelt: Mathematik / Informatik ► Informatik ► Theorie / Studium
• Themenwelt: Medizin / Pharmazie ► Gesundheitsfachberufe
• Themenwelt: Medizin / Pharmazie ► Medizinische Fachgebiete ► Pharmakologie / Pharmakotherapie
• Themenwelt: Medizin / Pharmazie ► Pharmazie
• Themenwelt: Naturwissenschaften ► Chemie ► Organische Chemie
• Themenwelt: Technik ► Maschinenbau
• Themenwelt: Wirtschaft
• ISBN-10: 0-08-054500-9 / 0080545009
• ISBN-13: 978-0-08-054500-4 / 9780080545004