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Ligand Design for G Protein-coupled Receptors, Volume 30
  • Language: en
  • Pages: 300

Ligand Design for G Protein-coupled Receptors, Volume 30

1. G protein-coupled receptors in the human genome -- 2. Why G protein-coupled receptors databases are needed -- 3. A novel drug screening assay for G protein-coupled receptors -- 4. Importance of GPCR dimerization for function : the case of the class C GPCRs -- 5. Molecular mechanisms of GPCR activation -- 6. Allosteric properties and regulation of G protein-coupled receptors -- 7. Chemogenomics approaches to ligand design -- 8. Strategies for the design of pGPCR-targeted libraries -- 9. Ligand-based rational design : virtual screening -- 10. 3-D structure of G protein-coupled receptors --11. 7TM models in structure-based drug design -- 12. Receptor-based rational design : virtual screening.

Understanding Biology Using Peptides
  • Language: en
  • Pages: 848

Understanding Biology Using Peptides

This book represents proceedings of the 19th American Peptide Symposium. It highlights many of the recent developments in peptide science, with a particular emphasis on how these advances are being applied to basic problems in biology and medicine. Specific topics covered include novel synthetic strategies, peptides in biological signaling, post-translational modifications of peptides and proteins, and peptide quaternary structure in material science and disease.

Chemical Genomics and Proteomics, Second Edition
  • Language: en
  • Pages: 247

Chemical Genomics and Proteomics, Second Edition

  • Type: Book
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  • Published: 2013-01-11
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  • Publisher: CRC Press

Since the publication of the pioneering first edition of Chemical Genomics and Proteomics more than seven years ago, the area of chemical genomics has rapidly expanded and diversified to numerous novel methods and subdisciplines, such as chemical glycomics and lipidomics. This second edition has been updated to uniquely reflect this interdisciplinary feature as well as the remarkable developments that have occurred. The new edition also covers innovative applications from cell biology to drug discovery to, more recently, clinical diagnostics and medical practice, which utilize the concepts of chemical genomics. The text provides an overview of the strategies and methodologies of chemical gen...

Fragment-Based Drug Discovery and X-Ray Crystallography
  • Language: en
  • Pages: 235

Fragment-Based Drug Discovery and X-Ray Crystallography

Introduction to Fragment-Based Drug Discovery, by Daniel A. Erlanson Fragment Screening Using X-Ray Crystallography, by Thomas G. Davies and Ian J. Tickle Hsp90 Inhibitors and Drugs from Fragment and Virtual Screening, by Stephen Roughley, Lisa Wright, Paul Brough, Andrew Massey and Roderick E. Hubbard Combining NMR and X-ray Crystallography in Fragment-Based Drug Discovery: Discovery of Highly Potent and Selective BACE-1 Inhibitors, by Daniel F. Wyss, Yu-Sen Wang, Hugh L. Eaton, Corey Strickland, Johannes H. Voigt, Zhaoning Zhu and Andrew W. Stamford Combining Biophysical Screening and X-Ray Crystallography for Fragment-Based Drug Discovery, by Michael Hennig, Armin Ruf and Walter Huber Targeting Protein–Protein Interactions and Fragment-Based Drug Discovery, by Eugene Valkov, Tim Sharpe, May Marsh, Sandra Greive and Marko Hyvönen Fragment Screening and HIV Therapeutics, by Joseph D. Bauman, Disha Patel and Eddy Arnold Fragment-Based Approaches and Computer-Aided Drug Discovery, by Didier Rognan

3D QSAR in Drug Design
  • Language: en
  • Pages: 796

3D QSAR in Drug Design

Progress in medicinal chemistry and in drug design depends on our ability to understand the interactions of drugs with their biological targets. Classical QSAR studies describe biological activity in terms of physicochemical properties of substituents in certain positions of the drug molecules. The purpose of this book is twofold: On the one hand, both the novice and the experienced user will be introduced to the theory and application of 3D QSAR analyses, and on the other, a comprehensive overview of the scope and limitations of these methods is given. The detailed discussion of the present state of the art should enable scientists to further develop and improve these powerful new tools. Th...

Tutorials in Chemoinformatics
  • Language: en
  • Pages: 665

Tutorials in Chemoinformatics

30 tutorials and more than 100 exercises in chemoinformatics, supported by online software and data sets Chemoinformatics is widely used in both academic and industrial chemical and biochemical research worldwide. Yet, until this unique guide, there were no books offering practical exercises in chemoinformatics methods. Tutorials in Chemoinformatics contains more than 100 exercises in 30 tutorials exploring key topics and methods in the field. It takes an applied approach to the subject with a strong emphasis on problem-solving and computational methodologies. Each tutorial is self-contained and contains exercises for students to work through using a variety of software packages. The majorit...

Chemogenomics and Chemical Genetics
  • Language: en
  • Pages: 258

Chemogenomics and Chemical Genetics

Biological and chemical sciences have undergone an unprecedented transformation, reflected by the huge use of parallel and automated technologies in key fields such as genome sequencing, DNA chips, nanoscale functional biology or combinatorial chemistry. It is now possible to generate and store from tens of thousands to millions of new small molecules, based on enhanced chemical synthesis strategies. Automated screening of small molecules is one of the technologies that has revolutionized biology, first developed for the pharmaceutical industry and recently introduced in academic laboratories. High-throughput and high-content screening allow the identification of bioactive compounds in colle...

Natural Compounds as Drugs, Volume I
  • Language: en
  • Pages: 380

Natural Compounds as Drugs, Volume I

In a real tour de force of pharmacological literature, this edited volume’s chapters highlight the biodiversity-driven approaches which are now of eminent importance in natural products research. It addresses the question why natural products display such complex chemical information, what makes them unique, as they often are, and what their characteristics are. Practical questions such as supply of natural substances and production optimization strategies are also covered.

Drug Design and Action
  • Language: en
  • Pages: 302

Drug Design and Action

A slow and consistent study of the approaches for drug design can help the foundation for a good scientific intuition. This edition includes over 30 new illustrations, numerous new mechanistic schemes and enhanced original figures. In addition, the use of color makes its study more pleasant and impressive. The Second Edition has been thoroughly revised with a modern look. The chapters on QSAR and Drug Metabolism have been extended, emphasizing concepts, such as the hyperconjugative effect or the anomeric effect, in which the student normally finds it difficult to understand. Stereoelectronic effects are essential to explain the mechanism of action of drugs and therefore, its agile and intuit...

Data Mining in Drug Discovery
  • Language: en
  • Pages: 322

Data Mining in Drug Discovery

Written for drug developers rather than computer scientists, this monograph adopts a systematic approach to mining scientifi c data sources, covering all key steps in rational drug discovery, from compound screening to lead compound selection and personalized medicine. Clearly divided into four sections, the first part discusses the different data sources available, both commercial and non-commercial, while the next section looks at the role and value of data mining in drug discovery. The third part compares the most common applications and strategies for polypharmacology, where data mining can substantially enhance the research effort. The final section of the book is devoted to systems biology approaches for compound testing. Throughout the book, industrial and academic drug discovery strategies are addressed, with contributors coming from both areas, enabling an informed decision on when and which data mining tools to use for one's own drug discovery project.