List of Contributors |
Preface |
Introduction / Knud J. Jensen1: |
Computational Approaches in Peptide and Protein Design: An Overview / Gregory V. Nikiforovicb ; Garland R. Marshall2: |
Basics and Tools / 2.1: |
The Importance of Computational Approaches / 2.2.1: |
Tools and Procedures: Force Fields and Sampling / 2.2.2: |
Computational Study of Cyclopentapeptide Inhibitors of CXCR4 / 2.3: |
The 3D Pharmacophore Model for FC131 / 2.3.1: |
A 3D Model of the TM Region of CXCR4 / 2.3.2: |
Docking of FC131 to CXCR4 / 2.3.3: |
Acknowledgements |
References |
Aspects of Peptidomimetics / Veronique Maes ; Dirk Tourwé3: |
Modified Peptides / 3.1: |
Pseudopeptides / 3.3: |
Secondary Structure Mimics (Excluding Turn Mimics) / 3.4: |
?-strand Mimetics / 3.4.1: |
Helix Mimetics / 3.4.2: |
Examples of Peptidomimetics / 3.5: |
Conclusion / 3.6: |
Design of Cyclic Peptides / Oliver Demmer ; Andreas O. Frank ; Horst Kessler4: |
Pharmaceutical Research Today / 4.1: |
General Advantages of Cyclic Peptide Structures / 4.1.2: |
Examples of Cyclic Peptides of Medicinal Interest / 4.1.3: |
General Considerations / 4.1.4: |
Peptide Cyclization / 4.2: |
Possibilities of Peptide Cyclization / 4.2.1: |
Synthesis of Cyclic Peptides / 4.2.2: |
Chemical Modifications of Cyclic Peptides / 4.2.3: |
Concluding Remarks / 4.2.4: |
Conformation and Dynamics of Cyclic Peptides / 4.3: |
Reductions in Conformational Space / 4.3.1: |
Conformational Arrangements in Cyclic Structures / 4.3.2: |
Flexibility of Cyclized Scaffolds / 4.3.3: |
Experimental Structure Characterization / 4.3.4: |
Concepts in the Rational Design of Cyclic Peptides / 4.4: |
The Influence of Amino Acid Composition / 4.4.1: |
The Dunitz-Waser Concept / 4.4.2: |
The Spatial Screening Technique / 4.4.3: |
General Strategy for Finding Active Hits / 4.4.4: |
Examples of Cyclic Peptides as Drug Candidates / 4.5: |
Cilengitide as Integrin Inhibitor / 4.5.1: |
CXCR4 Antagonists / 4.5.2: |
Sandostatin and the Veber-Hirschmann Peptide as Examples of Rational Design / 4.5.3: |
Carbohydrates in Peptide and Protein Design / Jesper Brask4.6: |
Configurational and Conformational Properties of Carbohydrates / 5.1: |
Carbohydrates in Peptidomimetics / 5.3: |
Glycopeptides / 5.4: |
Carbohydrates as Scaffolds in the Design of Nonpeptide Peptidomimetics / 5.5: |
Sugar Amino Acids / 5.6: |
Cyclodextrin-Peptide Conjugates / 5.7: |
Carboproteins: Protein Models on Carbohydrate Templates / 5.8: |
De Novo Design of Proteins / 5.9: |
Secondary Structure Elements / 6.1: |
The ?-helix / 6.2.1: |
The ?-sheet / 6.2.2: |
Loops, Turns and Templates / 6.2.3: |
Assembling a Specified Tertiary Structure from Secondary Structural Elements / 6.3: |
Computational Methods / 6.3.1: |
Coiled Coils / 6.3.2: |
?-helical Bundles / 6.3.3: |
Fluorous Interactions / 6.3.4: |
Additional Topics / 6.3.5: |
Proteins on Templates / 6.4: |
Foldamers / 6.5: |
Biopharmaceutical Applications of De Novo Design / 6.6: |
?-helical Structures in Biopharmaceutical Applications / 6.6.1: |
Foldamers in Biopharmaceutical Applications / 6.6.2: |
Design of Insulin Variants for Improved Treatment of Diabetes / Thomas Hoeg-Jensen7: |
Diabetes Management and the Need for Insulin Engineering / 7.1: |
Insulin Structure / 7.3: |
Prolonged-acting Insulin Solids / 7.4: |
Prolonged-acting Insulin Solutions / 7.5: |
Fast-acting Insulins / 7.6: |
Glucose-sensitive Insulin Preparations / 7.7: |
Alternative Insulin Delivery / 7.8: |
Insulin Mimetics / 7.9: |
Pushing the Limits of Insulin Engineering / 7.10: |
Index / 7.11: |
List of Contributors |
Preface |
Introduction / Knud J. Jensen1: |