Ligand-Macromolecular Interactions in Drug Discovery: Methods and Protocols

ISBN-13: 9781607612438 / Angielski / Twarda / 2010 / 297 str.

Ana Cecilia a. Roque

Opis

Drug research has been greatly transformed by the "omics revolution" and advances in computational tools, combinatorial chemistry, and high throughput screening techniques (HTS). These implements have advanced the ability to identify target molecules that serve as points of attack for future medicines, the design and synthesis of potential lead compounds, and further characterization, screening, and assays for therapeutic efficacy and toxicity. In Ligand-Macromolecular Interactions in Drug Discovery: Methods and Protocols, experts in the field highlight the main principles and methodologies currently utilized in the study of molecular interactions between compounds, either natural or synthetic, and complementary biological targets, within the scope of drug discovery. Beginning with a historical perspective of drug research focusing on the contribution of genomics, proteomics, high-throughput methods, and computational developments in drug discovery, the book then delves into highly detailed methods on topics such as NMR spectroscopy, compound library design and synthesis, chemical and biological microarrays, and many others. Written in the highly successful Methods in Molecular Biology(TM) series format, chapters include introductions to their respective subjects, lists of the necessary materials and reagents, step-by-step, readily reproducible protocols, and notes on troubleshooting and avoiding known pitfalls. Authoritative and cutting-edge, Ligand-Macromolecular Interactions in Drug Discovery: Methods and Protocols will serve as an ideal guide to scientists in academia and in industry who are striving to further our knowledge of medicines.

Spis treści

Part I: Reviews 1. An Historical Overview of Drug Discovery Ana Sofia Pina, Abid Hussain, and Ana Cecília Roque 2. Ligand Macromolecule Interactions: Theoretical Principles of Molecular Recognition Tammy Nolan, Nidhi Singh, and Christopher R. McCurdy 3. X-Ray Crystallography in Drug Discovery Ana Luísa Carvalho, José Trincão, and Maria João Romão 4. Virtual Screening of Compound Libraries Nuno M.F.S.A. Cerqueira, Sérgio F. Sousa, Pedro A. Fernandes, and Maria João Ramos Part II: Protocols 5. Combinatorial Chemistry and the Synthesis of Compound Libraries Rolf Breinbauer and Matthias Mentel 6. Ligand-Based Nuclear Magnetic Resonance Screening Techniques Aldino Viegas, Anjos L. Macedo, and Eurico Cabrita 7. Isothermal Titration Calorimetry and Differential Scanning Calorimetry Geoff Holdgate 8. Adaptive Combinatorial Design of Focused Compound Libraries Gisbert Schneider and Andreas Schüller 9. Chemical Microarrays: A New Tool for Discovery Enzyme Inhibitors Shuguang Liang, Wei Xu, Kurumi Horicuchi, Yuan Wang, and Haiching Ma 10. Fluorescence Polarization and Time-Resolved Fluorescence Resonance Energy Transfer Techniques for PI3K Assays Kurumi Horicuchi and Haiching Ma 11. Small Molecule Protein Interaction Profiling with Functional Protein Microarrays Lihao Meng, Dawn Mattoon, and Paul Predki 12. Capillary Electrophoresis in Drug Discovery Milena Quaglia and Ersilia De Lorenzi 13. SPR in Drug Discovery: Searching Bioactive Compounds in Plant Extracts Maria Minuni and Anna Rita Bilia 14. Application of Frontal Affinity Chromatography with Mass Spectrometry (FAC-MS) for StereospecificLigand-Macromolecule Interaction, Detection and Screening Jacek Slon-Usakiewicz and Peter Redden 15. GPC Spin Column HPLC-ESI-MS Methods for Screening Drugs Non-Covalently Bound to Proteins Marshall M. Siegel 16. A Scintillation Proximity Assay for Fatty Acid Amide Hydrolase Compatible with Inhibitor Screening Yuren Wang and Philip Jones 17. A Natural Product Approach to Drug Discovery: Probing Modes of Action of Antitumor Agents by Genome-Scale cDNA Library Screening Hendrik Luesch and Pedro Abreu 18. Ligand-Macromolecule Interactions in Live Cells by Fluorescence Correlation Spectroscopy Aladdin Pramanik

Blurb

Drug research has been greatly transformed by the "omics revolution" and advances in computational tools, combinatorial chemistry, and high throughput screening techniques (HTS). These implements have advanced the ability to identify target molecules that serve as points of attack for future medicines, the design and synthesis of potential lead compounds, and further characterization, screening, and assays for therapeutic efficacy and toxicity. In Ligand-Macromolecular Interactions in Drug Discovery: Methods and Protocols, experts in the field highlight the main principles and methodologies currently utilized in the study of molecular interactions between compounds, either natural or synthetic, and complementary biological targets, within the scope of drug discovery. Beginning with a historical perspective of drug research focusing on the contribution of genomics, proteomics, high-throughput methods, and computational developments in drug discovery, the book then delves into highly detailed methods on topics such as NMR spectroscopy, compound library design and synthesis, chemical and biological microarrays, and many others.  Written in the highly successful Methods in Molecular Biology™ series format, chapters include introductions to their respective subjects, lists of the necessary materials and reagents, step-by-step, readily reproducible protocols, and notes on troubleshooting and avoiding known pitfalls.

Authoritative and cutting-edge, Ligand-Macromolecular Interactions in Drug Discovery: Methods and Protocols will serve as an ideal guide to scientists in academia and in industry who are striving to further our knowledge of medicines.