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.
Reihe
Auflage
Softcover reprint of hardcover 1st ed. 1998
Sprache
Verlagsort
Zielgruppe
Für Beruf und Forschung
Research
Illustrationen
Maße
Höhe: 235 mm
Breite: 155 mm
Dicke: 17 mm
Gewicht
ISBN-13
978-90-481-5078-6 (9789048150786)
DOI
10.1007/978-94-015-9028-0
Schweitzer Klassifikation
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.
