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Author : Victor J. Hruby
Publisher :
ISBN 13 : 9780123042071
Total Pages : 0 pages
Book Rating : 4.0/5 (42 download)
Download or read book Conformation in Biology and Drug Design written by Victor J. Hruby and published by . This book was released on 1985 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Sidney Udenfriend
Publisher : Elsevier
ISBN 13 : 1483218007
Total Pages : 516 pages
Book Rating : 4.4/5 (832 download)
Download or read book Conformation in Biology and Drug Design written by Sidney Udenfriend and published by Elsevier. This book was released on 2014-05-10 with total page 516 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Peptides: Analysis, Synthesis, Biology, Volume 7: Conformation in Biology and Drug Design focuses on the analysis of peptides, emphasizing the use of physical methods in peptide conformational analysis and the relationship of conformational properties of peptides to biological properties. This book consists of nine chapters. Chapter 1 provides a brief overview of the perspective on the application of physical methods to peptide conformational analysis. The use of circular dichroism (CD) spectroscopy to examine the conformational properties of peptides in solution is elaborated in Chapter 2, while the use of fluorescence spectroscopy to examine the special relationships of aromatic side-chain groups to one another is discussed in Chapter 3. In Chapter 4, the use of various theoretical methods to calculate the conformations of peptides is described. The methods used to stimulate peptide conformations and dynamics are outlined in Chapter 5. The last four chapters examine various aspects of the use of nuclear magnetic resonance (NMR) in peptide conformational analysis. This volume is suitable for biologists, specialists, and researchers interested in peptides and proteins.
Author : Roderick E Hubbard
Publisher : Royal Society of Chemistry
ISBN 13 : 1847552544
Total Pages : 279 pages
Book Rating : 4.8/5 (475 download)
Download or read book Structure-Based Drug Discovery written by Roderick E Hubbard and published by Royal Society of Chemistry. This book was released on 2007-10-31 with total page 279 pages. Available in PDF, EPUB and Kindle. Book excerpt: Structure-based drug discovery is a collection of methods that exploits the ability to determine and analyse the three dimensional structure of biological molecules. These methods have been adopted and enhanced to improve the speed and quality of discovery of new drug candidates. After an introductory overview of the principles and application of structure-based methods in drug discovery, this book then describes the essential features of the various methods. Chapters on X-ray crystallography, NMR spectroscopy, and computational chemistry and molecular modelling describe how these particular techniques have been enhanced to support rational drug discovery, with discussions on developments such as high throughput structure determination, probing protein-ligand interactions by NMR spectroscopy, virtual screening and fragment-based drug discovery. The concluding chapters complement the overview of methods by presenting case histories to demonstrate the major impact that structure-based methods have had on discovering drug molecules. Written by international experts from industry and academia, this comprehensive introduction to the methods and practice of structure-based drug discovery not only illustrates leading-edge science but also provides the scientific background for the non-expert reader. The book provides a balanced appraisal of what structure-based methods can and cannot contribute to drug discovery. It will appeal to industrial and academic researchers in pharmaceutical sciences, medicinal chemistry and chemical biology, as well as providing an insight into the field for recent graduates in the biomolecular sciences.
Author : Giovanna Scapin
Publisher : Springer
ISBN 13 : 9401797196
Total Pages : 245 pages
Book Rating : 4.4/5 (17 download)
Download or read book Multifaceted Roles of Crystallography in Modern Drug Discovery written by Giovanna Scapin and published by Springer. This book was released on 2015-02-27 with total page 245 pages. Available in PDF, EPUB and Kindle. Book excerpt: The present work offers a snapshot of the state-of-the-art of crystallographic, analytical, and computational methods used in modern drug design and development. Topics discussed include: drug design against complex systems (membrane proteins, cell surface receptors, epigenetic targets, and ribosomes); modulation of protein-protein interactions; the impact of small molecule structures in drug discovery and the application of concepts such as molecular geometry, conformation, and flexibility to drug design; methodologies for understanding and characterizing protein states and protein-ligand interactions during the drug design process; and monoclonal antibody therapies. These methods are illustrated through their application to problems of medical and biological significance, such as viral and bacterial infections, diabetes, autoimmune disease, and CNS diseases. As approaches to drug discovery have changed over time, so have the methodologies used to solve the varied, new, and difficult problems encountered in drug discovery. In recent years we have seen great progress in the fields of genetics, biology, chemistry, and medicine, but there are still many unmet medical needs, from bacterial infections to cancer to chronic maladies, that require novel, different, or better therapies. This work will be of interest to researchers and policy makers interested in the latest developments in drug design.
Author : Erhard Gross
Publisher :
ISBN 13 :
Total Pages : 0 pages
Book Rating : 4.:/5 (78 download)
Download or read book The Peptides: Conformation in biology and drug design written by Erhard Gross and published by . This book was released on 1979 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Pandi Veerapandian
Publisher : Routledge
ISBN 13 : 1351413066
Total Pages : 665 pages
Book Rating : 4.3/5 (514 download)
Download or read book Structure-Based Drug Design written by Pandi Veerapandian and published by Routledge. This book was released on 2018-03-29 with total page 665 pages. Available in PDF, EPUB and Kindle. Book excerpt: Introducing the most recent advances in crystallography, nuclear magnetic resonance, molecular modeling techniques, and computational combinatorial chemistry, this unique, interdisciplinary reference explains the application of three-dimensional structural information in the design of pharmaceutical drugs. Furnishing authoritative analyses by world-renowned experts, Structure-Based Drug Design discusses protein structure-based design in optimizing HIV protease inhibitors and details the biochemical, genetic, and clinical data on HIV-1 reverse transcriptase presents recent results on the high-resolution three-dimensional structure of the catalytic core domain of HIV-1 integrase as a foundation for divergent combination therapy focuses on structure-based design strategies for uncovering receptor antagonists to treat inflammatory diseases demonstrates a systematic approach to the design of inhibitory compounds in cancer treatment reviews current knowledge on the Interleukin-1 (IL-1) system and progress in the development of IL-1 modulators describes the influence of structure-based methods in designing capsid-binding inhibitors for relief of the common cold and much more!
Author : G. Govil
Publisher : Springer Science & Business Media
ISBN 13 : 3642680976
Total Pages : 226 pages
Book Rating : 4.6/5 (426 download)
Download or read book Conformation of Biological Molecules written by G. Govil and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 226 pages. Available in PDF, EPUB and Kindle. Book excerpt: The determination of the three-dimensional structure of a biological molecule is the starting point in the understanding of molecular mechanisms involved in its complex biochemical reactions. The molecular architecture of multimolecular systems such as membranes and chromosomes provides the key to the fascinating field of molecular biology. Stereochemical details of biological macromolecules and their interactions with pharmacological agents form the basis for drug design. Naturally, the study of the structure and function of biological molecules has aroused tremendous interest and investigations in this area are being carried out in a large number of laboratories. The techniques used for this purpose include both experimental methods (X-ray and neutron diffraction measurements, study of NMR, ESR, vibrational and electronic spectra, ORD, CD and dipole moment measurements, biochemical modifications etc. ) and the oretical methods (quantum mechanical and classical potential energy calculations, Monte Carlo simulations and molecular graphics). F or several years now, X-ray diffraction [1] has served as our only source of infor mation on the three-dimensional arrangements of atoms in biopolymers. Fiber-diffrac tion of DNA led to the proposal of the DNA double helix. Fibers of long~hain polymers show ordering in the direction of the fibre-axis but not in the transverse plane. Accurate estimates of the dimensions of helical structures can be made using techniques on the basis of which models of biopolymers can be constructed.
Author : David J. Livingstone
Publisher : Royal Society of Chemistry
ISBN 13 : 1849731667
Total Pages : 517 pages
Book Rating : 4.8/5 (497 download)
Download or read book Drug Design Strategies written by David J. Livingstone and published by Royal Society of Chemistry. This book was released on 2012 with total page 517 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book brings together drug design practitioners, all leaders in their field, who are actively advancing the field of quantitative methods to guide drug discovery, from structure-based design to empirical statistical models - from rule-based approaches to toxicology to the fields of bioinformatics and systems biology. The aim of the book is to show how various facets of the drug discovery process can be addressed in a quantitative fashion (ie: numerical analysis to enable robust predictions to be made). Each chapter includes a brief review of the topic showing the historical development of.
Author : N. Claude Cohen
Publisher : Gulf Professional Publishing
ISBN 13 : 9780121782450
Total Pages : 386 pages
Book Rating : 4.7/5 (824 download)
Download or read book Guidebook on Molecular Modeling in Drug Design written by N. Claude Cohen and published by Gulf Professional Publishing. This book was released on 1996-04-26 with total page 386 pages. Available in PDF, EPUB and Kindle. Book excerpt: The molecular modeling perspective in drug design. (N. Calude Cohen). Molecular graphics and modeling: tools of the trade. (Roderick E. Hubbard). Molecular modeling of small molecules. (Tamara Gund). Computer assisted new lead design. (Akiko Itai, Miho Yamada Mizutani, Yoshihiko Nishibata, and Nubuo Tomioka). Experimental techniques and data banks. (John P. Priestle and C. Gregory Paris). Computer-assisted drug discovery. (Peter Gund, Gerald Maggiora, and James P. Snyder). Modeling drug-receptor interactions. (Konrad F. Koehler, Shashidhar N. Rao, and James P. Snyder). Glossary of terminology. (J. P. Tollenaere).
Author : Kristian Stromgaard
Publisher : CRC Press
ISBN 13 : 1498702791
Total Pages : 451 pages
Book Rating : 4.4/5 (987 download)
Download or read book Textbook of Drug Design and Discovery written by Kristian Stromgaard and published by CRC Press. This book was released on 2016-08-19 with total page 451 pages. Available in PDF, EPUB and Kindle. Book excerpt: Building on the success of the previous editions, the Textbook of Drug Design and Discovery, Fifth Edition, has been thoroughly revised and updated to provide a complete source of information on all facets of drug design and discovery for students of chemistry, pharmacy, pharmacology, biochemistry, and medicine. The information is presented in an up-to-date review form with an underlying and fundamental focus on the educational aspects. Beginning with an introduction to drug design and discovery, the first eight chapters cover molecular recognition, ligand-based drug design, and biostructure-based drug design. The authors also discuss drug-like properties and decision making in medicinal chemistry, chemical biology, natural products in drug discovery, and in vivo imaging in drug discovery. The middle six chapters provide an overview of peptide and protein drug design, prodrugs in drug design and development, and enzyme inhibitors. The authors also go through receptors (structure, function, and pharmacology), ion channels (structure and function), and neurotransmitter transporters (structure, function, and drug binding). The following chapters address important neurotransmitter systems, GABA and glutamic acid receptors and transporter ligands, acetylcholine, histamine, dopamine and serotonin, and opioid and cannabinoid receptors. The book concludes with an examination of neglected diseases, anticancer agents, tyrosine kinase receptors, and antibiotics.
Author : Vintner
Publisher : CRC Press
ISBN 13 : 9780849377723
Total Pages : 468 pages
Book Rating : 4.3/5 (777 download)
Download or read book Molecular Modelling and Drug Design written by Vintner and published by CRC Press. This book was released on 1994-05-03 with total page 468 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a myriad of fresh ideas and energetic approaches to the newer aspects of everyday drug modelling. With contributions from some of the best young talents of today, Molecular Modelling and Drug Design encourages a break from old traditions and probes the unexplored avenues of the modelling tool. The contributors' views act as a gauge to future trends in computer-aided drug design-an area that continues to expand and play an ever more significant role in drug discovery.
Author : Jean-Paul Renaud
Publisher : John Wiley & Sons
ISBN 13 : 1118900502
Total Pages : 1367 pages
Book Rating : 4.1/5 (189 download)
Download or read book Structural Biology in Drug Discovery written by Jean-Paul Renaud and published by John Wiley & Sons. This book was released on 2020-01-09 with total page 1367 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Author : Joel L. Sussman
Publisher : Springer Science & Business Media
ISBN 13 : 9048123399
Total Pages : 258 pages
Book Rating : 4.0/5 (481 download)
Download or read book From Molecules to Medicines written by Joel L. Sussman and published by Springer Science & Business Media. This book was released on 2009-04-21 with total page 258 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proceedings of the NATO Advanced Study Institute on Integrating Crystallography in the Fight Against Terrorism Erice, Italy 29 May-8 June 2008
Author : Paul Allan Bartlett
Publisher : Royal Society of Chemistry
ISBN 13 : 0854048421
Total Pages : 445 pages
Book Rating : 4.8/5 (54 download)
Download or read book Exploiting Chemical Diversity for Drug Discovery written by Paul Allan Bartlett and published by Royal Society of Chemistry. This book was released on 2006 with total page 445 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book examines the many aspects of the drug discovery process and presents the current state-of-the-art and a clear overview of approaches to lead identification.
Author : E. A. Rekka
Publisher : CRC Press
ISBN 13 : 1420008277
Total Pages : 384 pages
Book Rating : 4.4/5 (2 download)
Download or read book Chemistry and Molecular Aspects of Drug Design and Action written by E. A. Rekka and published by CRC Press. This book was released on 2008-04-28 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: An ever-increasing demand for better drugs, elevated safety standards, and economic considerations have all led to a dramatic paradigm shift in the way that drugs are being discovered and developed. Known as rational drug design, this contemporary process is defined by three main steps: the discovery of lead compounds, surgical manipulation to deve
Author : Francesco L. Gervasio
Publisher : John Wiley & Sons
ISBN 13 : 3527342656
Total Pages : 368 pages
Book Rating : 4.5/5 (273 download)
Download or read book Biomolecular Simulations in Structure-Based Drug Discovery written by Francesco L. Gervasio and published by John Wiley & Sons. This book was released on 2019-04-29 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: A guide to applying the power of modern simulation tools to better drug design Biomolecular Simulations in Structure-based Drug Discovery offers an up-to-date and comprehensive review of modern simulation tools and their applications in real-life drug discovery, for better and quicker results in structure-based drug design. The authors describe common tools used in the biomolecular simulation of drugs and their targets and offer an analysis of the accuracy of the predictions. They also show how to integrate modeling with other experimental data. Filled with numerous case studies from different therapeutic fields, the book helps professionals to quickly adopt these new methods for their current projects. Experts from the pharmaceutical industry and academic institutions present real-life examples for important target classes such as GPCRs, ion channels and amyloids as well as for common challenges in structure-based drug discovery. Biomolecular Simulations in Structure-based Drug Discovery is an important resource that: -Contains a review of the current generation of biomolecular simulation tools that have the robustness and speed that allows them to be used as routine tools by non-specialists -Includes information on the novel methods and strategies for the modeling of drug-target interactions within the framework of real-life drug discovery and development -Offers numerous illustrative case studies from a wide-range of therapeutic fields -Presents an application-oriented reference that is ideal for those working in the various fields Written for medicinal chemists, professionals in the pharmaceutical industry, and pharmaceutical chemists, Biomolecular Simulations in Structure-based Drug Discovery is a comprehensive resource to modern simulation tools that complement and have the potential to complement or replace laboratory assays for better results in drug design.
Author : D. C. Young
Publisher : John Wiley & Sons
ISBN 13 : 9780470451847
Total Pages : 344 pages
Book Rating : 4.4/5 (518 download)
Download or read book Computational Drug Design written by D. C. Young and published by John Wiley & Sons. This book was released on 2009-01-28 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt: Helps you choose the right computational tools and techniques to meet your drug design goals Computational Drug Design covers all of the major computational drug design techniques in use today, focusing on the process that pharmaceutical chemists employ to design a new drug molecule. The discussions of which computational tools to use and when and how to use them are all based on typical pharmaceutical industry drug design processes. Following an introduction, the book is divided into three parts: Part One, The Drug Design Process, sets forth a variety of design processes suitable for a number of different drug development scenarios and drug targets. The author demonstrates how computational techniques are typically used during the design process, helping readers choose the best computational tools to meet their goals. Part Two, Computational Tools and Techniques, offers a series of chapters, each one dedicated to a single computational technique. Readers discover the strengths and weaknesses of each technique. Moreover, the book tabulates comparative accuracy studies, giving readers an unbiased comparison of all the available techniques. Part Three, Related Topics, addresses new, emerging, and complementary technologies, including bioinformatics, simulations at the cellular and organ level, synthesis route prediction, proteomics, and prodrug approaches. The book's accompanying CD-ROM, a special feature, offers graphics of the molecular structures and dynamic reactions discussed in the book as well as demos from computational drug design software companies. Computational Drug Design is ideal for both students and professionals in drug design, helping them choose and take full advantage of the best computational tools available. Note: CD-ROM/DVD and other supplementary materials are not included as part of eBook file.
