Ligand Design for G Protein-coupled Receptors, Volume 30
Ligand Design for G Protein-coupled Receptors, Volume 30

Author: Didier Rognan

Publisher: John Wiley & Sons

Published: 2006-03-10

Total Pages: 300

ISBN-13: 9783527312849

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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.

Pharmacology of G Protein Coupled Receptors
Pharmacology of G Protein Coupled Receptors

Author: Richard R. Neubig

Publisher: Academic Press

Published: 2011-09-19

Total Pages: 408

ISBN-13: 0123859522

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G protein coupled receptors remain the most important class of therapeutic targets in medicine. In the last 5 years, tremendous advances have been made in our understanding of the structure and mechanism of this critical family of drug targets. The present volume explores the modern experimental and conceptual framework for drug discovery for G protein coupled receptors. It explores advances in structure determination and structure-based drug design as well as new concepts of allosteric modulation, functional selectivity/biased agonism, and pharmacological chaperones. In addition, emerging drug targets such as receptor families for fatty acids, carboxylic acids, lipid mediators, etc. are included. Final chapters cover novel mechanisms of signal regulation through PDZ domains and RGS proteins. This volume will bring an up-to-date perspective on the G protein coupled receptor field to both academic and industry scientists. The present volume explores the modern experimental and conceptual framework for drug discovery for G protein coupled receptors It explores advances in structure determination and structure-based drug design as well as new concepts of allosteric modulation, functional selectivity/biased agonism, and pharmacological chaperones This volume will bring an up-to-date perspective on the G protein coupled receptor field to both academic and industry scientists

Computational Methods for GPCR Drug Discovery
Computational Methods for GPCR Drug Discovery

Author: Alexander Heifetz

Publisher: Humana Press

Published: 2017-11-30

Total Pages: 436

ISBN-13: 9781493974641

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This volume looks at modern computational strategies and techniques used in GPCR drug discovery including structure and ligand-based approaches and cheminformatics. The chapters in this book describe how these approaches can be applied to address key drug discovery issues, such as receptor structure modelling, function and dynamics, prediction of protein-water-ligand interactions and binding kinetics, free energy of binding, interconversion between agonists and antagonists, deorphanization of GPCRs, and the discovery of biased and allosteric modulators. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary software and tools, step-by-step, readily reproducible modelling protocols, and tips on troubleshooting and avoiding known pitfalls. Cutting-edge and unique,Computational Methods for GPCR Drug Discovery is a valuable resource for structural and molecular biologists, computational and medicinal chemists, pharmacologists, and drug designers.

Research and Trends in Data Mining Technologies and Applications
Research and Trends in Data Mining Technologies and Applications

Author: Taniar, David

Publisher: IGI Global

Published: 2006-10-31

Total Pages: 340

ISBN-13: 1599042738

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Activities in data warehousing and mining are constantly emerging. Data mining methods, algorithms, online analytical processes, data mart and practical issues consistently evolve, providing a challenge for professionals in the field. Research and Trends in Data Mining Technologies and Applications focuses on the integration between the fields of data warehousing and data mining, with emphasis on the applicability to real-world problems. This book provides an international perspective, highlighting solutions to some of researchers' toughest challenges. Developments in the knowledge discovery process, data models, structures, and design serve as answers and solutions to these emerging challenges.

Pharmacokinetics and Metabolism in Drug Design
Pharmacokinetics and Metabolism in Drug Design

Author: Dennis A. Smith

Publisher: John Wiley & Sons

Published: 2006-08-21

Total Pages: 207

ISBN-13: 3527608281

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In this new edition of a bestseller, all the contents have been updated and new material has been added, especially in the areas of toxicity testing and high throughput analysis. The authors, all of them employed at Pfizer in the discovery and development of new active substances, discuss the significant parameters and processes important for the absorption, distribution and retention of drug compounds in the body, plus the potential problems created by their transformation into toxic byproducts. They cover everything from the fundamental principles right up to the impact of pharmacokinetic parameters on the discovery of new drugs. While aimed at all those dealing professionally with the development and application of pharmaceutical substances, the readily comprehensible style makes this book equally suitable for students of pharmacy and related subjects.

Fragment-based Approaches in Drug Discovery
Fragment-based Approaches in Drug Discovery

Author: Wolfgang Jahnke

Publisher: John Wiley & Sons

Published: 2006-12-13

Total Pages: 391

ISBN-13: 3527608605

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This first systematic summary of the impact of fragment-based approaches on the drug development process provides essential information that was previously unavailable. Adopting a practice-oriented approach, this represents a book by professionals for professionals, tailor-made for drug developers in the pharma and biotech sector who need to keep up-to-date on the latest technologies and strategies in pharmaceutical ligand design. The book is clearly divided into three sections on ligand design, spectroscopic techniques, and screening and drug discovery, backed by numerous case studies.

Structural Biology in Drug Discovery
Structural Biology in Drug Discovery

Author: Jean-Paul Renaud

Publisher: John Wiley & Sons

Published: 2020-01-09

Total Pages: 1367

ISBN-13: 1118900502

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With the most comprehensive and up-to-date overview of structure-based drug discovery covering both experimental and computational approaches, Structural Biology in Drug Discovery: Methods, Techniques, and Practices describes principles, methods, applications, and emerging paradigms of structural biology as a tool for more efficient drug development. Coverage includes successful examples, academic and industry insights, novel concepts, and advances in a rapidly evolving field. The combined chapters, by authors writing from the frontlines of structural biology and drug discovery, give readers a valuable reference and resource that: Presents the benefits, limitations, and potentiality of major techniques in the field such as X-ray crystallography, NMR, neutron crystallography, cryo-EM, mass spectrometry and other biophysical techniques, and computational structural biology Includes detailed chapters on druggability, allostery, complementary use of thermodynamic and kinetic information, and powerful approaches such as structural chemogenomics and fragment-based drug design Emphasizes the need for the in-depth biophysical characterization of protein targets as well as of therapeutic proteins, and for a thorough quality assessment of experimental structures Illustrates advances in the field of established therapeutic targets like kinases, serine proteinases, GPCRs, and epigenetic proteins, and of more challenging ones like protein-protein interactions and intrinsically disordered proteins

Nuclear Receptors as Drug Targets
Nuclear Receptors as Drug Targets

Author: Eckhard Ottow

Publisher: John Wiley & Sons

Published: 2008-09-08

Total Pages: 522

ISBN-13: 3527623302

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Edited by two experts working at the pioneering pharmaceutical company and major global player in hormone-derived drugs, this handbook and reference systematically treats the drug development aspects of all human nuclear receptors, including recently characterized receptors such as PPAR, FXR and LXR. Authors from leading pharmaceutical companies around the world present examples and real-life data from their own work.

Molecular Drug Properties
Molecular Drug Properties

Author: Raimund Mannhold

Publisher: John Wiley & Sons

Published: 2008-06-25

Total Pages: 502

ISBN-13: 3527621296

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This first systematic overview for more than a decade is tailor-made for the medicinal chemist. All the chapters are written by experienced drug developers and include practical examples from real drug candidates. Following an introduction to global drug properties and their impact on drug research, screening and combinatorial chemistry libraries, this handbook demonstrates the best and fastest way to estimate those properties most relevant for the efficiency and pharmacokinetic performance of a drug molecule: lipophilicity,solubility, electronic properties and conformation.

Mass Spectrometry in Medicinal Chemistry
Mass Spectrometry in Medicinal Chemistry

Author: Klaus Wanner

Publisher: John Wiley & Sons

Published: 2007-04-09

Total Pages: 463

ISBN-13: 3527314563

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This first overview of mass spectrometry-based pharmaceutical analysis is the key to improved high-throughput drug screening, rational drug design and analysis of multiple ligand-target interactions. The ready reference opens with a general introduction to the use of mass spectrometry in pharmaceutical screening, followed by a detailed description of recently developed analytical systems for use in the pharmaceutical laboratory. Applications range from simple binding assays to complex screens of biological activity and systems containing multiple targets or ligands -- all highly relevant techniques in the early stages in drug discovery, from target characterization to hit and lead finding.