Structure-Based Drug Design

Experimental and Computational Approaches
1998
ISBN: 978-0-7923-5201-3
Verlag: Springer Netherlands

Buch, Englisch, Band 352, 290 Seiten, HC runder Rücken kaschiert, Format (B × H): 160 mm x 241 mm, Gewicht: 1320 g

Reihe: NATO Science Series E:

Structure-Based Drug Design brings together scientists working on different aspects of the subject, demonstrating the necessary collaboration and interdisciplinary approach to this complex area. The focus is on X-ray crystallographic and computational approaches. The general aspects of these approaches are introduced in the first six articles. The remaining articles provide examples of the application of X-ray crystallography, molecular modelling, molecular dynamics, QSAR, database analysis, and homology modelling. The papers cover a wealth of interesting problems in the design of new and enhanced pharmaceuticals.

Zielgruppe

Research

Autoren/Hrsg.

Codding, P. W.

Fachgebiete

• Naturwissenschaften Chemie Chemie Allgemein Chemische Labormethoden, Stöchiometrie
• Technische Wissenschaften Verfahrenstechnik | Chemieingenieurwesen | Biotechnologie Pharmazeutische Technologie
• Interdisziplinäres Wissenschaften Wissenschaften: Forschung und Information Forschungsmethodik, Wissenschaftliche Ausstattung
• Naturwissenschaften Chemie Chemie Allgemein Chemometrik, Chemoinformatik
• Naturwissenschaften Chemie Chemie Allgemein Toxikologie, Gefahrstoffe, Sicherheit in der Chemie
• Naturwissenschaften Biowissenschaften Biochemie (nichtmedizinisch)
• Naturwissenschaften Chemie Chemie Allgemein Pharmazeutische Chemie, Medizinische Chemie
• Naturwissenschaften Chemie Physikalische Chemie Quantenchemie, Theoretische Chemie

Inhaltsverzeichnis

Steroid Hormone Structure, Receptor Binding and Activity: Empirical Drug Design.- The Cambridge Structural Database System: Conformational Analysis from Crystallographic Data.- SAR, Scope and Limitations of Molecular Design Approaches.- Computational Strategies for Modeling Receptor Flexibility in Studies of Receptor-Ligand Interactions.- Application of Machine Learning in Drug Design.- 3D Molecular Similarity Methods: In Search of a Pharmacophore.- Collagenase and Family: Targets for Drug Design.- Drugs Targeting Influenza Virus Neuraminidase.- From Cyclohexane to FK506 — Conformational Analysis by Molecular Dynamics.- The Use of Uncoded ?-Amino Acids Residues in Drug Design.- Use of the Cambridge Structural Database to Study Non-Covalent Interactions: Towards a Knowledge Base of Intermolecular Interactions.- Immunoconjugates as Anti-Cancer Agents.- Database Searching using Protein Crystal Structures and Molecular Docking Procedures.- Recent Developments in Applying Machine Learning to Drug Design.- Structure-Based Design of Novel Heparin-like Anticoagulants.- Structure, Mechanism of Action and Inhibition of Dehydrogenase Enzymes.- In Search of Hypoglycaemic Agents for the Treatment of Non-Insulin Dependent Diabetes Mellitus.- 3D Molecular Similarity Methods: Application to Modeling HIV-1 Reverse Transcriptase Inhibitor Binding.- Computational Approaches to Modeling Receptor Flexibility upon Ligand Binding: Application to Interfacially Activated Enzymes.- Exploring Drug Design Methods with Thymidylate Synthase.- Computational Tools for Structure-Based Drug Design.- Antibody-Antigen Interactions — Lessons in Molecular Design.- Antibacterial Design Based on the Structures of Gyrase-Inhibitor Complexes.- Integrated Homology Modelling and X-ray Study of Herpes SimplexVirus I Thymidine Kinase.