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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.
List of contents
Reviews.- An Historical Overview of Drug Discovery.- Ligand Macromolecule Interactions: Theoretical Principles of Molecular Recognition.- X-Ray Crystallography in Drug Discovery.- Virtual Screening of Compound Libraries.- Protocols.- Combinatorial Chemistry and the Synthesis of Compound Libraries.- Ligand-Based Nuclear Magnetic Resonance Screening Techniques.- Isothermal Titration Calorimetry and Differential Scanning Calorimetry.- Adaptive Combinatorial Design of Focused Compound Libraries.- Chemical Microarrays: A New Tool for Discovery Enzyme Inhibitors.- Fluorescence Polarization and Time-Resolved Fluorescence Resonance Energy Transfer Techniques for PI3K Assays.- Small Molecule Protein Interaction Profiling with Functional Protein Microarrays.- Capillary Electrophoresis in Drug Discovery.- SPR in Drug Discovery: Searching Bioactive Compounds in Plant Extracts.- Application of Frontal Affinity Chromatography with Mass Spectrometry (FAC#x2013;MS) for Stereospecific Ligand#x2013;Macromolecule Interaction, Detection and Screening.- GPC Spin Column HPLC#x2013;ESI-MS Methods for Screening Drugs Noncovalently Bound to Proteins.- A Scintillation Proximity Assay for Fatty Acid Amide Hydrolase Compatible with Inhibitor Screening.- A Natural Products Approach to Drug Discovery: Probing Modes of Action of Antitumor Agents by Genome-Scale cDNA Library Screening.- Ligand#x2013;Macromolecule Interactions in Live Cells by Fluorescence Correlation Spectroscopy.
Summary
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.
