Nmr Spectroscopy In Drug Development And Analysis

Author : Ulrike Holzgrabe,Iwona Wawer,Bernd Diehl
Publisher : John Wiley & Sons
Page : 312 pages
File Size : 42,6 Mb
Release : 2008-07-11
Category : Medical
ISBN : 9783527613656

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NMR Spectroscopy in Drug Development and Analysis by Ulrike Holzgrabe,Iwona Wawer,Bernd Diehl Pdf

Since the development of the NMR spectrometer in the 1950s, NMR spectra have been widely used for the elucidation of the 2D structure of newly synthesized and natural compounds. In the 1980s, the high-resolution NMR spectrometer (> 300 Mhz) and 2D experiments were introduced, which opens up the possibility to determine the 3D structure of large molecules, especially biomolecules. However, NMR spectroscopy has been rarely applied to drug analysis. This book illustrates the power and versatility of NMR spectroscopy in the determination of impurities in and the content of drugs, the composition of polymer excipients, the characterization of isomeric drug mixtures, the complexity of drugs with small-size components or ions, and the behavior of drugs in acid and basic solution. In addition, NMR spectroscopy and especially the hyphenated technique with HPLC is shown to be a powerful tool to measure a drug and its metabolites in various body fluids. The solid state NMR technique can give information on the structure, especially the conformation of drugs and excipients in drug formulations. Recently, SAR by NMR, introduced by Fesik, impressively demonstrated the potential of NMR spectroscopy in drug development and in the characterization of the interaction between large molecules and ligands. The complexation between proteins, lipids and cyclodextrins with drugs is described. Finally, NMR imaging (MRI and MRS) can be used to characterize the liberation of drugs from a drug formulation. Furthermore, the distribution of substances in plants, in animals, in tissues and in humans can be visualized by imaging. In short, this book covers all aspects of drug analysis.

Author : Leoncio Garrido,Nicolau Beckmann
Publisher : Royal Society of Chemistry
Page : 585 pages
File Size : 52,8 Mb
Release : 2013
Category : Medical
ISBN : 9781849734448

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New Applications of NMR in Drug Discovery and Development by Leoncio Garrido,Nicolau Beckmann Pdf

This book presents a review of recent developments in NMR applications in pharmaceutical research. Consideration is given to consolidated and emerging techniques and methods, many of which are not yet widely applied but are likely to provide new opportunities for drug design. The first part of the book is dedicated to the description of NMR as a tool for the analysis of chemicals and their interactions with targets. The next seven chapters describe NMR approaches to investigate in vivo models of interest in drug discovery and development, with the attention focused on anatomy, function, metabolism and molecular-cellular aspects. Finally, consideration is given to the application of in vivo NMR to the identification and characterization of biomarkers with the aim of monitoring the outcome of therapeutic intervention in selected human diseases, including the study of drug metabolism and toxicity. Aimed at NMR spectroscopists, pharmacologists, imaging researchers and pharmaceutical scientists, this title is invaluable at putting NMR in context within its role in drug discovery and development. This resource is essential reading for those both new and already active in these areas.

Author : Atta-ur- Rahman,M. Iqbal Choudhary
Publisher : Bentham Science Publishers
Page : 221 pages
File Size : 43,9 Mb
Release : 2011
Category : Science
ISBN : 9781608051649

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Structure-activity Relationship Studies in Drug Development by NMR Spectroscopy by Atta-ur- Rahman,M. Iqbal Choudhary Pdf

"NMR (Nuclear Magnetic Resonance) Spectroscopy has found significant applications in drug discovery based on its capacity to map molecular interactions at the atomic level. Chemical shifts, cross relaxation, and exchange of protons are among the NMR parame"

Author : Jeremy R. Everett,Robin K. Harris,John C. Lindon,Ian D. Wilson
Publisher : John Wiley & Sons
Page : 504 pages
File Size : 55,5 Mb
Release : 2015-08-24
Category : Science
ISBN : 9781118660232

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NMR in Pharmaceutical Science by Jeremy R. Everett,Robin K. Harris,John C. Lindon,Ian D. Wilson Pdf

NMR in Pharmaceutical Sciences is intended to be a comprehensive source of information for the many individuals that utilize MR in studies of relevance to the pharmaceutical sector. The book is intended to educate and inform those who develop and apply MR approaches within the wider pharmaceutical environment, emphasizing the toolbox that is available to spectroscopists and radiologists. This book is structured on the key processes in drug discovery, development and manufacture, but underpinned by an understanding of fundamental NMR principles and the unique contribution that NMR (including MRI) can provide. After an introductory chapter, which constitutes an overview, the content is organised into five sections. The first section is on the basics of NMR theory and relevant experimental methods. The rest follow a sequence based on the chronology of drug discovery and development, firstly 'Idea to Lead' then 'Lead to Drug Candidate', followed by 'Clinical Development', and finally 'Drug Manufacture'. The thirty one chapters cover a vast range of topics from analytical chemistry, including aspects involved in regulatory matters and in the prevention of fraud, to clinical imaging studies. Whilst this comprehensive volume will be essential reading for many scientists based in pharmaceutical and related industries, it should also be of considerable value to a much wider range of academic scientists whose research is related to the various aspects of pharmaceutical R&D; for them it will supply vital understanding of pharmaceutical industrial concerns and the basis of key decision making processes. About eMagRes Handbooks eMagRes (formerly the Encyclopedia of Magnetic Resonance) publishes a wide range of online articles on all aspects of magnetic resonance in physics, chemistry, biology and medicine. The existence of this large number of articles, written by experts in various fields, is enabling the publication of a series of eMagRes Handbooks on specific areas of NMR and MRI. The chapters of each of these handbooks will comprise a carefully chosen selection of eMagRes articles. In consultation with the eMagRes Editorial Board, the eMagRes handbooks are coherently planned in advance by specially-selected Editors, and new articles are written to give appropriate complete coverage. The handbooks are intended to be of value and interest to research students, postdoctoral fellows and other researchers learning about the scientific area in question and undertaking relevant experiments, whether in academia or industry. Have the content of this handbook and the complete content of eMagRes at your fingertips! Visit: www.wileyonlinelibrary.com/ref/eMagRes

Author : Iwona Wawer,Bernd Diehl
Publisher : Elsevier
Page : 528 pages
File Size : 43,5 Mb
Release : 2008-08-22
Category : Science
ISBN : 9780080558196

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NMR Spectroscopy in Pharmaceutical Analysis by Iwona Wawer,Bernd Diehl Pdf

For almost a decade, quantitative NMR spectroscopy (qNMR) has been established as valuable tool in drug analysis. In all disciplines, i. e. drug identification, impurity profiling and assay, qNMR can be utilized. Separation techniques such as high performance liquid chromatography, gas chromatography, super fluid chromatography and capillary electrophoresis techniques, govern the purity evaluation of drugs. However, these techniques are not always able to solve the analytical problems often resulting in insufficient methods. Nevertheless such methods find their way into international pharmacopoeias. Thus, the aim of the book is to describe the possibilities of qNMR in pharmaceutical analysis. Beside the introduction to the physical fundamentals and techniques the principles of the application in drug analysis are described: quality evaluation of drugs, polymer characterization, natural products and corresponding reference compounds, metabolism, and solid phase NMR spectroscopy for the characterization drug substances, e.g. the water content, polymorphism, and drug formulations, e.g. tablets, powders. This part is accompanied by more special chapters dealing with representative examples. They give more detailed information by means of concrete examples. Combines theory, techniques, and concrete applications—all of which closely resemble the laboratory experience Considers international pharmacopoeias, addressing the concern for licensing Features the work of academics and researchers, appealing to a broad readership

Author : Anonim
Publisher : Unknown
Page : 214 pages
File Size : 44,7 Mb
Release : 2011
Category : Drugs
ISBN : OCLC:1153533001

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Structure-activity Relationship Studies in Drug Development by NMR Spectroscopy by Anonim Pdf

Author : David C Lee,Michael L. Webb
Publisher : John Wiley & Sons
Page : 384 pages
File Size : 45,6 Mb
Release : 2009-02-12
Category : Science
ISBN : 9781405172998

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Pharmaceutical Analysis by David C Lee,Michael L. Webb Pdf

The use of analytical sciences in the discovery, development andmanufacture of pharmaceuticals is wide-ranging. From the analysisof minute amounts of complex biological materials to the qualitycontrol of the final dosage form, the use of analytical technologycovers an immense range of techniques and disciplines. This book concentrates on the analytical aspects of drugdevelopment and manufacture, focusing on the analysis of the activeingredient or drug substance. It provides those joining theindustry or other areas of pharmaceutical research with a source ofreference to a broad range of techniques and their applications,allowing them to choose the most appropriate analytical techniquefor a particular purpose. The volume is directed at analytical chemists, industrialpharmacists, organic chemists, pharmaceutical chemists andbiochemists.

Author : David J. Craik
Publisher : CRC Press
Page : 496 pages
File Size : 42,8 Mb
Release : 1995-12-18
Category : Medical
ISBN : 0849378249

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NMR in Drug Design by David J. Craik Pdf

NMR in Drug Design discusses the use of nuclear magnetic resonance (NMR) in studies of the design, structure, mechanism, and actions of pharmaceutical agents. Topics include rational drug design, NMR techniques in drug design, conformational analysis by NMR, macromolecular structure determination, protein-ligand interactions, drug-DNA interactions, and studies of enzyme mechanisms by NMR. This reference book provides invaluable practical information to the scientist working in drug design or NMR research.

Author : Atta-ur-Rahman,M. Iqbal Choudhary
Publisher : Elsevier
Page : 256 pages
File Size : 47,9 Mb
Release : 2015-12-10
Category : Science
ISBN : 9781608059652

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Applications of NMR Spectroscopy: by Atta-ur-Rahman,M. Iqbal Choudhary Pdf

Applications of NMR Spectroscopy, Volume 2, originally published by Bentham and now distributed by Elsevier, presents the latest developments in the field of NMR spectroscopy, including the analysis of plant polyphenols, the role of NMR spectroscopy in neuroradiology, NMR-based sensors, studies on protein and nucleic acid structure and function, and mathematical formations for NMR spectroscopy in structural biology. The fully illustrated chapters contain comprehensive references to the recent literature. The applications presented cover a wide range of the field, such as drug development, medical imaging and diagnostics, food science, mining, petrochemical, process control, materials science, and chemical engineering, making this resource a multi-disciplinary reference with broad applications. The content is ideal for readers who are seeking reviews and updates, as it consolidates scientific articles of a diverse nature into a single volume. Sections are organized based on disciplines, such as food science and medical diagnostics. Each chapter is written by eminent experts in the field. Consolidates the latest developments in NMR spectroscopy into a single volume Authored and edited by world-leading experts in spectroscopy Features comprehensive references to the most recent related literature More than 65 illustrations aid in the retention of key concepts

Author : Maria V. Silva Elipe
Publisher : John Wiley & Sons
Page : 197 pages
File Size : 52,7 Mb
Release : 2011-12-20
Category : Science
ISBN : 9781118135389

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LC-NMR and Other Hyphenated NMR Techniques by Maria V. Silva Elipe Pdf

This practical guide provides a basic overview of the pros and cons of NMR spectroscopy as both a hyphenated and non-hyphenated technique. The book begins with a description of basic NMR concepts for the structural elucidation of organic compounds and then details the historical development of NMR and hyphenated NMR in the structural elucidation world, followed by applications of hyphenated NMR as LC-NMR and LC-MS-NMR in industry and academia. It also contains updated information on the latest advancements and applications of LC-NMR in such areas as degradation products, drug metabolism, food analysis, and drug discovery. An essential resource for scientists in industry and academia who work in the areas of organic chemistry, medicinal chemistry, process chemistry, and analytical chemistry.

Author : Edward R. Zartler,Michael Shapiro
Publisher : John Wiley & Sons
Page : 296 pages
File Size : 40,5 Mb
Release : 2008-11-20
Category : Science
ISBN : 9780470721568

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Fragment-Based Drug Discovery by Edward R. Zartler,Michael Shapiro Pdf

Fragment-based drug discovery (FBDD) is a new paradigm in drug discovery that utilizes very small molecules - fragments of larger molecules. It is a faster, cheaper, smarter way to do drug discovery, as shown by the number of pharmaceutical companies that have embraced this approach and the biotechnology companies who use fragments as their sole source of drug discovery. Fragment-Based Drug Discovery: A Practical Approach is a guide to the techniques and practice of using fragments in drug screening. The emphasis is on practical guidance, with procedures, case studies, practical tips, and contributions from industry. Topics covered include: an introduction to fragment based drug discovery, why using fragments is a more efficient process than predominant models, and what it means to have a successful FBDD effort. setting up an FBDD project library building and production NMR in fragment screening and follow up application of protein-ligand NOE matching to the rapid evaluation of fragment binding poses target immobilized NMR screening: validation and extension to membrane proteins in situ fragment-based medicinal chemistry: screening by mass spectrometry computational approaches to fragment and substructure discovery and evaluation virtual fragment scanning: current trends, applications and web based tools fragment-based lead discovery using covalent capture methods case study from industry: the identification of high affinity beta-secretase inhibitors using fragment-based lead generation With contributions from industry experts who have successfully set up an industrial fragment-based research program, Fragment-Based Drug Discovery: A Practical Approach offers essential advice to anyone embarking on drug discovery using fragments and those looking for a new approach to screening for drugs.

Author : Zoran Mandic
Publisher : IAPC Publishing
Page : 500 pages
File Size : 45,6 Mb
Release : 2012
Category : Electronic
ISBN : 9789535694205

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Physico Chemical Methods in Drug Discovery and Development by Zoran Mandic Pdf

Author : Eram Sharmin,Fahmina Zafar
Publisher : BoD – Books on Demand
Page : 242 pages
File Size : 40,8 Mb
Release : 2017-12-06
Category : Science
ISBN : 9789535136279

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Spectroscopic Analyses by Eram Sharmin,Fahmina Zafar Pdf

The book presents developments and applications of these methods, such as NMR, mass, and others, including their applications in pharmaceutical and biomedical analyses. The book is divided into two sections. The first section covers spectroscopic methods, their applications, and their significance as characterization tools; the second section is dedicated to the applications of spectrophotometric methods in pharmaceutical and biomedical analyses. This book would be useful for students, scholars, and scientists engaged in synthesis, analyses, and applications of materials/polymers.

Author : Angeles Canales
Publisher : Royal Society of Chemistry
Page : 336 pages
File Size : 47,5 Mb
Release : 2017-11-20
Category : Science
ISBN : 9781782627333

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Biophysical Techniques in Drug Discovery by Angeles Canales Pdf

With perspectives from academia and industry across a spectrum of techniques, this is a go-to volume for biophysicists, analytical chemists and medicinal chemists looking for a broad overview of techniques of contemporary interest in drug discovery.

Author : Yutaka Ito,Volker Dötsch,Masahiro Shirakawa
Publisher : Royal Society of Chemistry
Page : 322 pages
File Size : 50,9 Mb
Release : 2019-12-09
Category : Science
ISBN : 9781839160936

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In-cell NMR Spectroscopy by Yutaka Ito,Volker Dötsch,Masahiro Shirakawa Pdf

In-cell NMR spectroscopy is a relatively new field. Despite its short history, recent in-cell NMR-related publications in major journals indicate that this method is receiving significant general attention. This book provides the first informative work specifically focused on in-cell NMR. It details the historical background of in-cell NMR, host cells for in-cell NMR studies, methods for in-cell biological techniques and NMR spectroscopy, applications, and future perspectives. Researchers in biochemistry, biophysics, molecular biology, cell biology, structural biology as well as NMR analysts interested in biological applications will all find this book valuable reading.