Protein-Ligand Interactions

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Author :
Publisher : John Wiley & Sons
ISBN 13 : 3527329668
Total Pages : 361 pages
Book Rating : 4.5/5 (273 download)

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Book Synopsis Protein-Ligand Interactions by : Holger Gohlke

Download or read book Protein-Ligand Interactions written by Holger Gohlke and published by John Wiley & Sons. This book was released on 2012-05-21 with total page 361 pages. Available in PDF, EPUB and Kindle. Book excerpt: Innovative and forward-looking, this volume focuses on recent achievements in this rapidly progressing field and looks at future potential for development. The first part provides a basic understanding of the factors governing protein-ligand interactions, followed by a comparison of key experimental methods (calorimetry, surface plasmon resonance, NMR) used in generating interaction data. The second half of the book is devoted to insilico methods of modeling and predicting molecular recognition and binding, ranging from first principles-based to approximate ones. Here, as elsewhere in the book, emphasis is placed on novel approaches and recent improvements to established methods. The final part looks at unresolved challenges, and the strategies to address them. With the content relevant for all drug classes and therapeutic fields, this is an inspiring and often-consulted guide to the complexity of protein-ligand interaction modeling and analysis for both novices and experts.

Bioactive Conformation I

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Publisher : Springer Science & Business Media
ISBN 13 : 3540490779
Total Pages : 317 pages
Book Rating : 4.5/5 (44 download)

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Book Synopsis Bioactive Conformation I by : Thomas Peters

Download or read book Bioactive Conformation I written by Thomas Peters and published by Springer Science & Business Media. This book was released on 2007-01-05 with total page 317 pages. Available in PDF, EPUB and Kindle. Book excerpt: With contributions by numerous experts

Proteomics and Protein-Protein Interactions

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Publisher : Springer Science & Business Media
ISBN 13 : 0387245324
Total Pages : 325 pages
Book Rating : 4.3/5 (872 download)

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Book Synopsis Proteomics and Protein-Protein Interactions by : Gabriel Waksman

Download or read book Proteomics and Protein-Protein Interactions written by Gabriel Waksman and published by Springer Science & Business Media. This book was released on 2006-12-22 with total page 325 pages. Available in PDF, EPUB and Kindle. Book excerpt: Gabriel Waksman Institute of Structural Molecular Biology, Birkbeck and University College London, Malet Street, London WC1E 7HX, United Kingdom Address for correspondence: Professor Gabriel Waksman Institute of Structural Molecular Biology Birkbeck and University College London Malet Street London WC1E 7H United Kingdom Email: g. waksman@bbk. ac. uk and g. waksman@ucl. ac. uk Phone: (+44) (0) 207 631 6833 Fax: (+44) (0) 207 631 6833 URL: http://people. cryst. bbk. ac. uk/?ubcg54a Gabriel Waksman is Professor of Structural Molecular Biology at the Institute of Structural Molecular Biology at UCL/Birkbeck, of which he is also the director. Before joining the faculty of UCL and Birkbeck, he was the Roy and Diana Vagelos Professor of Biochemistry and Molecular Biophysics at the Washington University School of Medicine in St Louis (USA). The rapidly evolving ?eld of protein science has now come to realize the ubiquity and importance of protein–protein interactions. It had been known for some time that proteins may interact with each other to form functional complexes, but it was thought to be the property of only a handful of key proteins. However, with the advent of hi- throughput proteomics to monitor protein–protein interactions at an organism level, we can now safely state that protein–protein interactions are the norm and not the exception.

Protein-Ligand Interactions

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Author :
Publisher : John Wiley & Sons
ISBN 13 : 3527605517
Total Pages : 262 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Protein-Ligand Interactions by : Hans-Joachim Böhm

Download or read book Protein-Ligand Interactions written by Hans-Joachim Böhm and published by John Wiley & Sons. This book was released on 2006-03-06 with total page 262 pages. Available in PDF, EPUB and Kindle. Book excerpt: The lock-and-key principle formulated by Emil Fischer as early as the end of the 19th century has still not lost any of its significance for the life sciences. The basic aspects of ligand-protein interaction may be summarized under the term 'molecular recognition' and concern the specificity as well as stability of ligand binding. Molecular recognition is thus a central topic in the development of active substances, since stability and specificity determine whether a substance can be used as a drug. Nowadays, computer-aided prediction and intelligent molecular design make a large contribution to the constant search for, e. g., improved enzyme inhibitors, and new concepts such as that of pharmacophores are being developed. An up-to-date presentation of an eternally young topic, this book is an indispensable information source for chemists, biochemists and pharmacologists dealing with the binding of ligands to proteins.

Microcalorimetry of Biological Molecules

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Publisher : Humana
ISBN 13 : 9781493991785
Total Pages : 0 pages
Book Rating : 4.9/5 (917 download)

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Book Synopsis Microcalorimetry of Biological Molecules by : Eric Ennifar

Download or read book Microcalorimetry of Biological Molecules written by Eric Ennifar and published by Humana. This book was released on 2019-04-01 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume provides methods on microcalorimetry approaches to investigate complex biological molecular systems. Chapters guide readers through Differential Scanning Calorimetry (DSC), Isothermal Titration Calorimetry (ITC), and advanced data processing. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Authoritative and practical, Microcalorimetry of Biological Molecules: Methods and Protocols aims to ensure successful results in the further study of this vital field.

Thermodynamics and Kinetics of Drug Binding

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Publisher : John Wiley & Sons
ISBN 13 : 352733582X
Total Pages : 360 pages
Book Rating : 4.5/5 (273 download)

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Book Synopsis Thermodynamics and Kinetics of Drug Binding by : György Keserü

Download or read book Thermodynamics and Kinetics of Drug Binding written by György Keserü and published by John Wiley & Sons. This book was released on 2015-08-17 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: This practical reference for medicinal and pharmaceutical chemists combines the theoretical background with modern methods as well as applications from recent lead finding and optimization projects. Divided into two parts on the thermodynamics and kinetics of drug-receptor interaction, the text provides the conceptual and methodological basis for characterizing binding mechanisms for drugs and other bioactive molecules. It covers all currently used methods, from experimental approaches, such as ITC or SPR, right up to the latest computational methods. Case studies of real-life lead or drug development projects are also included so readers can apply the methods learned to their own projects. Finally, the benefits of a thorough binding mode analysis for any drug development project are summarized in an outlook chapter written by the editors.

Multivalency

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Publisher : John Wiley & Sons
ISBN 13 : 1119143462
Total Pages : 434 pages
Book Rating : 4.1/5 (191 download)

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Book Synopsis Multivalency by : Jurriaan Huskens

Download or read book Multivalency written by Jurriaan Huskens and published by John Wiley & Sons. This book was released on 2018-02-05 with total page 434 pages. Available in PDF, EPUB and Kindle. Book excerpt: Connects fundamental knowledge of multivalent interactions with current practice and state-of-the-art applications Multivalency is a widespread phenomenon, with applications spanning supramolecular chemistry, materials chemistry, pharmaceutical chemistry and biochemistry. This advanced textbook provides students and junior scientists with an excellent introduction to the fundamentals of multivalent interactions, whilst expanding the knowledge of experienced researchers in the field. Multivalency: Concepts, Research & Applications is divided into three parts. Part one provides background knowledge on various aspects of multivalency and cooperativity and presents practical methods for their study. Fundamental aspects such as thermodynamics, kinetics and the principle of effective molarity are described, and characterisation methods, experimental methodologies and data treatment methods are also discussed. Parts two and three provide an overview of current systems in which multivalency plays an important role in chemistry and biology, with a focus on the design rules, underlying chemistry and the fundamental principles of multivalency. The systems covered range from chemical/materials-based ones such as dendrimers and sensors, to biological systems including cell recognition and protein binding. Examples and case studies from biochemistry/bioorganic chemistry as well as synthetic systems feature throughout the book. Introduces students and young scientists to the field of multivalent interactions and assists experienced researchers utilising the methodologies in their work Features examples and case studies from biochemistry/bioorganic chemistry, as well as synthetic systems throughout the book Edited by leading experts in the field with contributions from established scientists Multivalency: Concepts, Research & Applications is recommended for graduate students and junior scientists in supramolecular chemistry and related fields, looking for an introduction to multivalent interactions. It is also highly useful to experienced academics and scientists in industry working on research relating to multivalent and cooperative systems in supramolecular chemistry, organic chemistry, pharmaceutical chemistry, chemical biology, biochemistry, materials science and nanotechnology.

Fragment-Based Drug Discovery

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Author :
Publisher : Royal Society of Chemistry
ISBN 13 : 1782625658
Total Pages : 314 pages
Book Rating : 4.7/5 (826 download)

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Book Synopsis Fragment-Based Drug Discovery by : Steven Howard

Download or read book Fragment-Based Drug Discovery written by Steven Howard and published by Royal Society of Chemistry. This book was released on 2015-06-17 with total page 314 pages. Available in PDF, EPUB and Kindle. Book excerpt: Fragment-based drug discovery is a rapidly evolving area of research, which has recently seen new applications in areas such as epigenetics, GPCRs and the identification of novel allosteric binding pockets. The first fragment-derived drug was recently approved for the treatment of melanoma. It is hoped that this approval is just the beginning of the many drugs yet to be discovered using this fascinating technique. This book is written from a Chemist's perspective and comprehensively assesses the impact of fragment-based drug discovery on a wide variety of areas of medicinal chemistry. It will prove to be an invaluable resource for medicinal chemists working in academia and industry, as well as anyone interested in novel drug discovery techniques.

Protein–Ligand Binding Thermodynamics

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Author :
Publisher : American Chemical Society
ISBN 13 : 084129979X
Total Pages : 217 pages
Book Rating : 4.8/5 (412 download)

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Book Synopsis Protein–Ligand Binding Thermodynamics by : Justin M. Miller

Download or read book Protein–Ligand Binding Thermodynamics written by Justin M. Miller and published by American Chemical Society. This book was released on 2023-06-01 with total page 217 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ligand binding by macromolecules represents a core event of broad relevance to a range of systems, including catalytic systems alongside noncatalytic systems such as nucleic acid binding by transcription factors or extracellular ligand binding by proteins involved in signaling pathways. The scope of this primer is constrained to introduce only foundational models without significant discussion of more advanced topics such as allosteric or linkage effects. Linkage occurs when the binding of a ligand is influenced by the binding of another molecule of the same ligand (homotropic linkage), the binding of a different ligand (heterotropic linkage), physical variables such as temperature or pressure (physical linkage), or changes in macromolecular assembly state (polysteric linkage). Taking this into account, the foundational themes presented in this primer can be used to describe any macromolecule–ligand interaction either by direct use of the models and techniques described here or by applying them to develop more advanced models to explain additional complexities such as those allosteric or linkage effects just mentioned. The target audience of this primer is the senior undergraduate or junior graduate student who lacks a foundation in ligand-binding thermodynamics. As such, we have focused primarily on foundational thermodynamic treatments and presented only general discussions of relevant experimental designs. Readers of this primer will learn how to build a working understanding of common factors that promote energetic favorability for ligand binding; develop a functional toolbox to understand ligand binding from the perspective of collecting, plotting, and interpreting ligand-binding data; enhance proficiency in deriving thermodynamic mechanisms for ligand binding; and become comfortable in interpreting binding data reported in the literature and independently expanding knowledge beyond the scope introduced in this primer.

Applied Biophysics for Drug Discovery

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Author :
Publisher : John Wiley & Sons
ISBN 13 : 111909948X
Total Pages : 148 pages
Book Rating : 4.1/5 (19 download)

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Book Synopsis Applied Biophysics for Drug Discovery by : Donald Huddler

Download or read book Applied Biophysics for Drug Discovery written by Donald Huddler and published by John Wiley & Sons. This book was released on 2017-10-02 with total page 148 pages. Available in PDF, EPUB and Kindle. Book excerpt: Applied Biophysics for Drug Discovery is a guide to new techniques and approaches to identifying and characterizing small molecules in early drug discovery. Biophysical methods are reasserting their utility in drug discovery and through a combination of the rise of fragment-based drug discovery and an increased focus on more nuanced characterisation of small molecule binding, these methods are playing an increasing role in discovery campaigns. This text emphasizes practical considerations for selecting and deploying core biophysical method, including but not limited to ITC, SPR, and both ligand-detected and protein-detected NMR. Topics covered include: • Design considerations in biophysical-based lead screening • Thermodynamic characterization of protein-compound interactions • Characterizing targets and screening reagents with HDX-MS • Microscale thermophoresis methods (MST) • Screening with Weak Affinity Chromatography • Methods to assess compound residence time • 1D-NMR methods for hit identification • Protein-based NMR methods for SAR development • Industry case studies integrating multiple biophysical methods This text is ideal for academic investigators and industry scientists planning hit characterization campaigns or designing and optimizing screening strategies.

Biophysical Approaches Determining Ligand Binding to Biomolecular Targets

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Publisher : Royal Society of Chemistry
ISBN 13 : 1849732663
Total Pages : 373 pages
Book Rating : 4.8/5 (497 download)

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Book Synopsis Biophysical Approaches Determining Ligand Binding to Biomolecular Targets by : Alberto Podjarny

Download or read book Biophysical Approaches Determining Ligand Binding to Biomolecular Targets written by Alberto Podjarny and published by Royal Society of Chemistry. This book was released on 2011-04-01 with total page 373 pages. Available in PDF, EPUB and Kindle. Book excerpt: The binding of small ligands to biological molecules is central to most aspects of biological function. The past twenty years has seen the development of an increasing armoury of biophysical methods that not only detect such binding, but also provide varying degrees of information about the kinetics, thermodynamics and structural aspects of the process. These methods have received increasing attention with the growth in more rational approaches to drug discovery and design. This book reviews the latest advances in the application of biophysics to the study of ligand binding. It provides a complete overview of current techniques to identify ligands, characterise their binding sites and understand their binding mechanisms. Particular emphasis is given to the combined use of different techniques and their relative strengths and weaknesses. Consistency in the way each technique is described makes it easy for readers to select the most suitable protocol for their research. The introduction explains why some techniques are more suitable than others and emphasizes the possible synergies between them. The following chapters, all written by a specialist in the particular technique, focus on each method individually. The book finishes by describing how several complimentary techniques can be used together for maximum effectiveness. This book is suitable for biomolecular scientists at graduate or post-doctoral level in academia and industry. Biologists and chemists will also find it a useful introduction to the techniques available.

Protein-Ligand Interactions

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Publisher : Humana
ISBN 13 : 9781493958733
Total Pages : 0 pages
Book Rating : 4.9/5 (587 download)

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Book Synopsis Protein-Ligand Interactions by : Mark A. Williams

Download or read book Protein-Ligand Interactions written by Mark A. Williams and published by Humana. This book was released on 2016-11-17 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proteins are the cell’s workers, their messengers and overseers. In these roles, proteins specifically bind small molecules, nucleic acid and other protein partners. Cellular systems are closely regulated and biologically significant changes in populations of particular protein complexes correspond to very small variations of their thermodynamics or kinetics of reaction. Interfering with the interactions of proteins is the dominant strategy in the development of new pharmaceuticals. Protein Ligand Interactions: Methods and Applications, Second Edition provides a complete introduction to common and emerging procedures for characterizing the interactions of individual proteins. From the initial discovery of natural substrates or potential drug leads, to the detailed quantitative understanding of the mechanism of interaction, all stages of the research process are covered with a focus on those techniques that are, or are anticipated to become, widely accessible and performable with mainstream commercial instrumentation. Written in the highly successful Methods in Molecular Biology series format, chapters contain introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and notes on troubleshooting and avoiding known pitfalls. Authoritative and accessible, Protein Ligand Interactions: Methods and Applications, Second Edition serves as an ideal guide for researchers new to the field of biophysical characterization of protein interactions – whether they are beginning graduate students or experts in allied areas of molecular cell biology, microbiology, pharmacology, medicinal chemistry or structural biology.

Structure-based Drug Design

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Author :
Publisher : Landes Bioscience
ISBN 13 :
Total Pages : 206 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Structure-based Drug Design by : John E. Ladbury

Download or read book Structure-based Drug Design written by John E. Ladbury and published by Landes Bioscience. This book was released on 1997 with total page 206 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Ligand-Receptor Energetics

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Publisher : John Wiley & Sons
ISBN 13 : 9780471176268
Total Pages : 196 pages
Book Rating : 4.1/5 (762 download)

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Book Synopsis Ligand-Receptor Energetics by : Irving M. Klotz

Download or read book Ligand-Receptor Energetics written by Irving M. Klotz and published by John Wiley & Sons. This book was released on 1997-03-14 with total page 196 pages. Available in PDF, EPUB and Kindle. Book excerpt: Energetische Wechselbeziehungen zwischen Ligand und Rezeptor sind besonders bei der Wechselwirkung kleiner Moleküle mit größeren unter Bildung komplexer Makromoleküle von Bedeutung, welche eine essentielle Rolle in Chemie, Biochemie, Biophysik, Pharmakologie und vielen anderen Gebieten spielen. Hier werden die thermodynamischen Ansätze experimentell und theoretisch erläutert - mit vielen Illustrationen zur Erklärung der Ligand-Bindungskonzepte.

Applications of Calorimetry in a Wide Context

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Publisher : BoD – Books on Demand
ISBN 13 : 9535109472
Total Pages : 488 pages
Book Rating : 4.5/5 (351 download)

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Book Synopsis Applications of Calorimetry in a Wide Context by : Amal Ali Elkordy

Download or read book Applications of Calorimetry in a Wide Context written by Amal Ali Elkordy and published by BoD – Books on Demand. This book was released on 2013-01-23 with total page 488 pages. Available in PDF, EPUB and Kindle. Book excerpt: Calorimetry, as a technique for thermal analysis, has a wide range of applications which are not only limited to studying the thermal characterisation (e.g. melting temperature, denaturation temperature and enthalpy change) of small and large drug molecules, but are also extended to characterisation of fuel, metals and oils. Differential Scanning Calorimetry is used to study the thermal behaviours of drug molecules and excipients by measuring the differential heat flow needed to maintain the temperature difference between the sample and reference cells equal to zero upon heating at a controlled programmed rate. Microcalorimetry is used to study the thermal transition and folding of biological macromolecules in dilute solutions. Microcalorimetry is applied in formulation and stabilisation of therapeutic proteins. This book presents research from all over the world on the applications of calorimetry on both solid and liquid states of materials.

Protein Interactions

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Author :
Publisher : Springer
ISBN 13 :
Total Pages : 312 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Protein Interactions by : G. Weber

Download or read book Protein Interactions written by G. Weber and published by Springer. This book was released on 1992-05-31 with total page 312 pages. Available in PDF, EPUB and Kindle. Book excerpt: A study of the thermodynamics of protein-protein and protein-ligand interactions. The author explains the energetics of protein interactions and gives a thorough account of the complicated biophysics that occur when the effects of multiple, complex molecules are taken into account.

Protein Conformational Dynamics

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Publisher : Springer Science & Business Media
ISBN 13 : 3319029703
Total Pages : 488 pages
Book Rating : 4.3/5 (19 download)

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Book Synopsis Protein Conformational Dynamics by : Ke-li Han

Download or read book Protein Conformational Dynamics written by Ke-li Han and published by Springer Science & Business Media. This book was released on 2014-01-20 with total page 488 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book discusses how biological molecules exert their function and regulate biological processes, with a clear focus on how conformational dynamics of proteins are critical in this respect. In the last decade, the advancements in computational biology, nuclear magnetic resonance including paramagnetic relaxation enhancement, and fluorescence-based ensemble/single-molecule techniques have shown that biological molecules (proteins, DNAs and RNAs) fluctuate under equilibrium conditions. The conformational and energetic spaces that these fluctuations explore likely contain active conformations that are critical for their function. More interestingly, these fluctuations can respond actively to external cues, which introduces layers of tight regulation on the biological processes that they dictate. A growing number of studies have suggested that conformational dynamics of proteins govern their role in regulating biological functions, examples of this regulation can be found in signal transduction, molecular recognition, apoptosis, protein / ion / other molecules translocation and gene expression. On the experimental side, the technical advances have offered deep insights into the conformational motions of a number of proteins. These studies greatly enrich our knowledge of the interplay between structure and function. On the theoretical side, novel approaches and detailed computational simulations have provided powerful tools in the study of enzyme catalysis, protein / drug design, protein / ion / other molecule translocation and protein folding/aggregation, to name but a few. This work contains detailed information, not only on the conformational motions of biological systems, but also on the potential governing forces of conformational dynamics (transient interactions, chemical and physical origins, thermodynamic properties). New developments in computational simulations will greatly enhance our understanding of how these molecules function in various biological events.