Rational Drug Design Methods and Protocols [Hardcover]

This volume covers several aspects of rational drug design, such as synthesis of novel bioactive drugs; development and application of new methodologies; computational methods valuable for the establishment of new approaches in drug discovery; and the effects of physical-chemical and ADMET properties of the designed potential drugs. Chapters guide readers through amyloid deposits, Saturation Transfer Difference (STD) NMR, methods on bioguided design, the importance of lipophilicity in drug design, ADMET, FRET, structural biology, and homology modeling. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls.

Authoritative and cutting-edge, Rational Drug Design: Methods and Protocols aims to ensure successful results in the further study of this vital field.

1. Conformational Properties of hIAPP22-29 (NFGAILSS) and Rational Drug Design

Panagiotis Lagarias, Youness Elkhou, Jason Vedad, Adam Profit, Tahsin F. Kellici, Antonios Kolocouris, Ruel Desamero, and Thomas Mavromoustakos

2. Electronic and Electrostatic Approaches to the Development of Peptide-based Inhibitors of Amylin Aggregation

Adam A. Profit and Ruel Z. B. Desamero

3. In Silico Drug Design: Applications of non-peptide mimetics towards the Immunotherapy of Multiple Sclerosis

Haralambos Tzoupis and Theodore Tselios

4. Binding Moiety Mapping by Saturation Transfer Difference NMR

Jeffrey R. Brender, Janarthanan Krishnamoorthy, Anirban Ghosh, and Anirban Bhunia

5. Protein Ligand Docking in Drug Design: PerformanclG