Fragment based Drug Discovery

Fragment based Drug Discovery
Author: Daniel A. Erlanson,Wolfgang Jahnke,Raimund Mannhold,Hugo Kubinyi,Gerd Folkers
Publsiher: John Wiley & Sons
Total Pages: 528
Release: 2016-02-23
ISBN 10: 352733775X
ISBN 13: 9783527337750
Language: EN, FR, DE, ES & NL

Fragment based Drug Discovery Book Review:

From its origins as a niche technique more than 15 years ago, fragment-based approaches have become a major tool for drug and ligand discovery, often yielding results where other methods have failed. Written by the pioneers in the field, this book provides a comprehensive overview of current methods and applications of fragment-based discovery, as well as an outlook on where the field is headed. The first part discusses basic considerations of when to use fragment-based methods, how to select targets, and how to build libraries in the chemical fragment space. The second part describes established, novel and emerging methods for fragment screening, including empirical as well as computational approaches. Special cases of fragment-based screening, e. g. for complex target systems and for covalent inhibitors are also discussed. The third part presents several case studies from recent and on-going drug discovery projects for a variety of target classes, from kinases and phosphatases to targeting protein-protein interaction and epigenetic targets.

In Silico Lead Discovery

In Silico Lead Discovery
Author: Maria A. Miteva
Publsiher: Bentham Science Publishers
Total Pages: 193
Release: 2011
ISBN 10: 1608051420
ISBN 13: 9781608051427
Language: EN, FR, DE, ES & NL

In Silico Lead Discovery Book Review:

Computer-aided drug design and in silico screening have contributed to the discovery of several compounds that have either reached the market or entered clinical trials. In silico Lead Discovery is a compilation of the efforts of several experts on bioinf

Frontiers in Drug Design and Discovery

Frontiers in Drug Design and Discovery
Author: Atta-ur- Rahman,Gary W. Caldwell, M. Iqbal Choudhary,Mark R. Player
Publsiher: Bentham Science Publishers
Total Pages: 644
Release: 2010-12-13
ISBN 10: 160805201X
ISBN 13: 9781608052011
Language: EN, FR, DE, ES & NL

Frontiers in Drug Design and Discovery Book Review:

"Frontiers in Drug Design and Discovery" is an Ebook series devoted to publishing the latest and the most important advances in drug design and discovery. Eminent scientists write contributions on all areas of rational drug design and drug discovery inclu

Inhibitors of Molecular Chaperones as Therapeutic Agents

Inhibitors of Molecular Chaperones as Therapeutic Agents
Author: Timothy D. Machajewski,Zhenhai Gao,David P. Rotella
Publsiher: Royal Society of Chemistry
Total Pages: 425
Release: 2013
ISBN 10: 1849736669
ISBN 13: 9781849736664
Language: EN, FR, DE, ES & NL

Inhibitors of Molecular Chaperones as Therapeutic Agents Book Review:

This book aims to provide a comprehensive examination of the field of molecular chaperone inhibition and its application to pharmaceutical research. With several small molecule inhibitors in oncology clinical development, there is clearly intense interest in the chaperones as a molecular target. Filling a significant gap in the market by providing a detailed comparison of discovery programs across the industry, this text will find broad interest among researchers in the field of molecular chaperone pharmaceutical research, oncology research, and medicinal chemistry. Arranged into three main sections the book covers structure and function, small molecule inhibitors and concludes with a section discussing clinical perspectives. With specific chapters covering the discovery of key molecules such as, BIIB028, STA-9090, Serenex Hsp90 inhibitor, NVP-AUY922 and NVP-HSP990, this comprehensive text will be an essential treatise for researchers working in academia and industry.

In Silico Drug Discovery and Design

In Silico Drug Discovery and Design
Author: Claudio N. Cavasotto
Publsiher: CRC Press
Total Pages: 558
Release: 2015-08-06
ISBN 10: 1482217856
ISBN 13: 9781482217858
Language: EN, FR, DE, ES & NL

In Silico Drug Discovery and Design Book Review:

In Silico Drug Discovery and Design: Theory, Methods, Challenges, and Applications provides a comprehensive, unified, and in-depth overview of the current methodological strategies in computer-aided drug discovery and design. Its main aims are to introduce the theoretical framework and algorithms, discuss the range of validity, strengths and limita

Fragment Based Drug Discovery and X Ray Crystallography

Fragment Based Drug Discovery and X Ray Crystallography
Author: Thomas G. Davies,Marko Hyvönen
Publsiher: Springer Science & Business Media
Total Pages: 228
Release: 2012-01-24
ISBN 10: 3642275400
ISBN 13: 9783642275401
Language: EN, FR, DE, ES & NL

Fragment Based Drug Discovery and X Ray Crystallography Book Review:

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

The Practice of Medicinal Chemistry

The Practice of Medicinal Chemistry
Author: Camille Georges Wermuth,David Aldous,Pierre Raboisson,Didier Rognan
Publsiher: Elsevier
Total Pages: 902
Release: 2015-07-01
ISBN 10: 012417213X
ISBN 13: 9780124172135
Language: EN, FR, DE, ES & NL

The Practice of Medicinal Chemistry Book Review:

The Practice of Medicinal Chemistry, Fourth Edition provides a practical and comprehensive overview of the daily issues facing pharmaceutical researchers and chemists. In addition to its thorough treatment of basic medicinal chemistry principles, this updated edition has been revised to provide new and expanded coverage of the latest technologies and approaches in drug discovery. With topics like high content screening, scoring, docking, binding free energy calculations, polypharmacology, QSAR, chemical collections and databases, and much more, this book is the go-to reference for all academic and pharmaceutical researchers who need a complete understanding of medicinal chemistry and its application to drug discovery and development. Includes updated and expanded material on systems biology, chemogenomics, computer-aided drug design, and other important recent advances in the field Incorporates extensive color figures, case studies, and practical examples to help users gain a further understanding of key concepts Provides high-quality content in a comprehensive manner, including contributions from international chapter authors to illustrate the global nature of medicinal chemistry and drug development research An image bank is available for instructors at www.textbooks.elsevier.com

Glycogen Synthase Kinases Advances in Research and Application 2013 Edition

Glycogen Synthase Kinases   Advances in Research and Application  2013 Edition
Author: Anonim
Publsiher: ScholarlyEditions
Total Pages: 89
Release: 2013-06-21
ISBN 10: 1481688200
ISBN 13: 9781481688208
Language: EN, FR, DE, ES & NL

Glycogen Synthase Kinases Advances in Research and Application 2013 Edition Book Review:

Glycogen Synthase Kinases—Advances in Research and Application: 2013 Edition is a ScholarlyBrief™ that delivers timely, authoritative, comprehensive, and specialized information about ZZZAdditional Research in a concise format. The editors have built Glycogen Synthase Kinases—Advances in Research and Application: 2013 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about ZZZAdditional Research in this book to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Glycogen Synthase Kinases—Advances in Research and Application: 2013 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.

Concepts and Experimental Protocols of Modelling and Informatics in Drug Design

Concepts and Experimental Protocols of Modelling and Informatics in Drug Design
Author: Om Silakari,Pankaj Kumar Singh
Publsiher: Academic Press
Total Pages: 396
Release: 2020-11-05
ISBN 10: 0128205474
ISBN 13: 9780128205471
Language: EN, FR, DE, ES & NL

Concepts and Experimental Protocols of Modelling and Informatics in Drug Design Book Review:

Concepts and Experimental Protocols of Modelling and Informatics in Drug Design discusses each experimental protocol utilized in the field of bioinformatics, focusing especially on computer modeling for drug development. It helps the user in understanding the field of computer-aided molecular modeling (CAMM) by presenting solved exercises and examples. The book discusses topics such as fundamentals of molecular modeling, QSAR model generation, protein databases and how to use them to select and analyze protein structure, and pharmacophore modeling for drug targets. Additionally, it discusses data retrieval system, molecular surfaces, and freeware and online servers. The book is a valuable source for graduate students and researchers on bioinformatics, molecular modeling, biotechnology and several members of biomedical field who need to understand more about computer-aided molecular modeling. Presents exercises with solutions to aid readers in validating their own protocol Brings a thorough interpretation of results of each exercise to help readers compare them to their own study Explains each parameter utilized in the algorithms to help readers understand and manipulate various features of molecules and target protein to design their study

Chemoinformatics Approaches to Structure and Ligand Based Drug Design

Chemoinformatics Approaches to Structure  and Ligand Based Drug Design
Author: Adriano D. Andricopulo,Leonardo L. G. Ferreira
Publsiher: Frontiers Media SA
Total Pages: 135
Release: 2019-02-05
ISBN 10: 2889457443
ISBN 13: 9782889457441
Language: EN, FR, DE, ES & NL

Chemoinformatics Approaches to Structure and Ligand Based Drug Design Book Review:

Chemoinformatics is paramount to current drug discovery. Structure- and ligand-based drug design strategies have been used to uncover hidden patterns in large amounts of data, and to disclose the molecular aspects underlying ligand-receptor interactions. This Research Topic aims to share with a broad audience the most recent trends in the use of chemoinformatics in drug design. To that end, experts in all areas of drug discovery have made their knowledge available through a series of articles that report state-of-the-art approaches. Readers are provided with outstanding contributions focusing on a wide variety of topics which will be of great value to those interested in the many different and exciting facets of drug design.

PlantOmics The Omics of Plant Science

PlantOmics  The Omics of Plant Science
Author: Debmalya Barh,Muhammad Sarwar Khan,Eric Davies
Publsiher: Springer
Total Pages: 825
Release: 2015-03-18
ISBN 10: 8132221729
ISBN 13: 9788132221722
Language: EN, FR, DE, ES & NL

PlantOmics The Omics of Plant Science Book Review:

PlantOmics: The Omics of Plant Science provides a comprehensive account of the latest trends and developments of omics technologies or approaches and their applications in plant science. Thirty chapters written by 90 experts from 15 countries are included in this state-of-the-art book. Each chapter describes one topic/omics such as: omics in model plants, spectroscopy for plants, next generation sequencing, functional genomics, cyto-metagenomics, epigenomics, miRNAomics, proteomics, metabolomics, glycomics, lipidomics, secretomics, phenomics, cytomics, physiomics, signalomics, thiolomics, organelle omics, micro morphomics, microbiomics, cryobionomics, nanotechnology, pharmacogenomics, and computational systems biology for plants. It provides up to date information, technologies, and their applications that can be adopted and applied easily for deeper understanding plant biology and therefore will be helpful in developing the strategy for generating cost-effective superior plants for various purposes. In the last chapter, the editors have proposed several new areas in plant omics that may be explored in order to develop an integrated meta-omics strategy to ensure the world and earth’s health and related issues. This book will be a valuable resource to students and researchers in the field of cutting-edge plant omics.

BioNMR in Drug Research

BioNMR in Drug Research
Author: Oliver Zerbe
Publsiher: John Wiley & Sons
Total Pages: 502
Release: 2006-03-06
ISBN 10: 3527605428
ISBN 13: 9783527605422
Language: EN, FR, DE, ES & NL

BioNMR in Drug Research Book Review:

The vast progress made in the investigation of biomolecules using NMR has only recently been rewarded with the Nobel Prize for Kurt Wüthrich. Edited by a former coworker of Wüthrich, this book presents the theoretical background on NMR of biomolecules, plus the use of NMR techniques in determining the structures of proteins and nucleic acids. BioNMR spectroscopy offers a universal tool for examining the binding of an active substance to its target protein. Its use thereby benefits the rational development of drugs. This interaction can now be investigated in a hitherto unparalleled precision and displayed in 3D - an important prerequisite for the targeted development of new active substances. The latest methods for characterizing substance-receptor complexes are demonstrated backed by many case studies from pharmaceutical research. Thus it comes as no surprise that a large number of the authors are working for leading pharmaceutical companies. With its successful mixture of basic information and application strategies, coupled with many real-life examples, this is an invaluable guide for both NMR spectroscopists and pharmaceutical researchers.

Antimicrobials

Antimicrobials
Author: Flavia Marinelli,Olga Genilloud
Publsiher: Springer Science & Business Media
Total Pages: 364
Release: 2013-10-04
ISBN 10: 3642399681
ISBN 13: 9783642399688
Language: EN, FR, DE, ES & NL

Antimicrobials Book Review:

Reports on the emergence and prevalence of resistant bacterial infections in hospitals and communities raise concerns that we may soon no longer be able to rely on antibiotics as a way to control infectious diseases. Effective medical care would require the constant introduction of novel antibiotics to keep up in the “arms race” with resistant pathogens. This book closely examines the latest developments in the field of antibacterial research and development. It starts with an overview of the growing prevalence of resistant Gram-positive and Gram-negative pathogens, including their various resistance mechanisms, prevalence, risk factors and therapeutic options. The focus then shifts to a comprehensive description of all major chemical classes with antibacterial properties, their chemistry, mode of action, and the generation of analogs; information that provides the basis for the design of improved molecules to defeat microbial infections and combat the emerging resistances. In closing, recently developed compounds already in clinical use, those in preclinical or first clinical studies, and a number of promising targets to be exploited in the discovery stage are discussed.

Human Viruses Diseases Treatments and Vaccines

Human Viruses  Diseases  Treatments and Vaccines
Author: Shamim I. Ahmad
Publsiher: Springer Nature
Total Pages: 745
Release: 2021-05-19
ISBN 10: 303071165X
ISBN 13: 9783030711658
Language: EN, FR, DE, ES & NL

Human Viruses Diseases Treatments and Vaccines Book Review:

This book discusses current evidence on human viruses and provides an extensive coverage of newly emerged viruses and current strategies for treatment. Offering a new perspective in view of the re-emergence of Ebola in African countries and Dengue in India and Pakistan, the contents include chapters on emergence, pathogenicity, epidemiology and vaccine uptake. Human Viruses: Diseases, Treatments and Vaccines: The New Insights discusses a range of viruses from the most common such as Influenza and Hepatitis to Zika, Poliomyelitis and Chikungunya among many others. It is authored by a team of experts on viral disease and will be of immense use to virologists, public health experts and clinicians.

G Protein Coupled Receptors Modeling and Simulation

G Protein Coupled Receptors   Modeling and Simulation
Author: Marta Filizola
Publsiher: Springer Science & Business Media
Total Pages: 228
Release: 2013-10-25
ISBN 10: 9400774230
ISBN 13: 9789400774230
Language: EN, FR, DE, ES & NL

G Protein Coupled Receptors Modeling and Simulation Book Review:

G protein-coupled receptors (GPCRs) are heptahelical transmembrane receptors that convert extra-cellular stimuli into intra-cellular signaling, and ultimately into biological responses. Since GPCRs are natural targets for approximately 40% of all modern medicines, it is not surprising that they have been the subject of intense research. Notwithstanding the amount of data generated over the years, discovering ligands of these receptors with optimal therapeutic properties is not straightforward and has certainly been hampered for years by the lack of high-resolution structural information about these receptors. Luckily, there has been a steady increase of high-resolution crystal structures of these receptors since 2007, and this information, integrated with dynamic inferences from computational and experimental methods, holds great potential for the discovery of new, improved drugs. This book, which provides, for the first time, state-of-the-art views on modeling and simulation of GPCRs, is divided into 4 parts. In the first part, the impact of currently available GPCR crystal structures on structural modeling is discussed extensively as are critical insights from simulations in the second part of the book. The third part reports recent progress in rational ligand discovery and mathematical modeling, whereas the fourth part provides an overview of bioinformatics tools and resources that are available for GPCRs.

Fragment Based Drug Discovery

Fragment Based Drug Discovery
Author: Steven Howard,Chris Abell
Publsiher: Royal Society of Chemistry
Total Pages: 264
Release: 2015-07-03
ISBN 10: 1849739080
ISBN 13: 9781849739085
Language: EN, FR, DE, ES & NL

Fragment Based Drug Discovery Book Review:

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.

Multi Scale Approaches in Drug Discovery

Multi Scale Approaches in Drug Discovery
Author: Alejandro Speck-Planche
Publsiher: Elsevier
Total Pages: 238
Release: 2017-02-14
ISBN 10: 008101242X
ISBN 13: 9780081012420
Language: EN, FR, DE, ES & NL

Multi Scale Approaches in Drug Discovery Book Review:

Drug discovery is an expensive, time-consuming process and the modern drug discovery community is constantly challenged not only with discovering novel bioactive agents to combat resistance from known diseases and fight against new ones, but to do so in a way that is economically effective. Advances in both experimental and theoretical/computational methods envisage that the greatest challenges in drug discovery can be most successfully addressed by using a multi-scale approach, drawing on the specialties of a whole host of different disciplines. Multi-Scale Approaches to Drug Discovery furnishes chemists with the detail they need to identify drug leads with the highest potential before isolating and synthesizing them to produce effective drugs with greater swiftness than classical methods may allow. This significantly speeds up the search for more efficient therapeutic agents. After an introduction to multi-scale approaches outlining the need for and benefits of their use, the book goes on to explore a range of useful techniques and research areas, and their potential applications to this process. Profiling drug binding by thermodynamics, machine learning for predicting enzyme sub-classes, and multitasking models for computer-aided design and virtual compound screening are discussed, before the book goes on to review Alkaloid Menispermaceae leads, natural chemotherapeutic agents and methods for speeding up the design and virtual screening of therapeutic peptides. Flavonoids as multi-target compounds are then explored, before the book concludes with a review of Quasi-SMILES as a novel tool. Collecting together reviews and original research contributions written by leading experts in the field, Multi-Scale Approaches to Drug Discovery highlights cutting-edge approaches and practical examples of their implementation for those involved in the drug discovery process at many different levels. Using the combined knowledge of medicinal, computational, pharmaceutical and bio- chemists, it aims to support growth in the multi-scale approach to promote greater success in the development of new drugs. Offers practical guidance on ways to implement multiscale approaches for increased efficiency in drug discovery Draws on the experience of a highly skilled team of authors under the editorial guidance of one of the field's leading experts Includes cutting-edge techniques at the forefront of medicinal chemistry and drug discovery optimization

Fragment based Approaches in Drug Discovery

Fragment based Approaches in Drug Discovery
Author: Wolfgang Jahnke,Daniel A. Erlanson
Publsiher: John Wiley & Sons
Total Pages: 391
Release: 2006-12-13
ISBN 10: 3527608605
ISBN 13: 9783527608607
Language: EN, FR, DE, ES & NL

Fragment based Approaches in Drug Discovery Book Review:

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.

Disruption of Protein Protein Interfaces

Disruption of Protein Protein Interfaces
Author: Stefano Mangani
Publsiher: Springer Science & Business Media
Total Pages: 161
Release: 2013-06-28
ISBN 10: 3642379990
ISBN 13: 9783642379994
Language: EN, FR, DE, ES & NL

Disruption of Protein Protein Interfaces Book Review:

"Disruption of Protein-Protein Interfaces" reviews the latest developments and future perspectives in drug discovery at protein-protein interfaces. The authors detail experimental and computational tools to tackle the subject and highlight the contribution of the Italian research community to the field. Evidence shows that blocking or modulating protein-protein interactions might lead to the development of useful new drugs. Consequently, in recent years great effort has been dedicated to unveiling the molecular details of protein-protein interfaces by structural techniques e.g. X-ray diffraction, NMR spectroscopy. This book, written and edited by leaders in the field, provides examples from the literature of successes and failures to develop drug-like molecules effective in interacting at protein-protein interfaces.

Lead Optimization for Medicinal Chemists

Lead Optimization for Medicinal Chemists
Author: Florencio Zaragoza Dörwald
Publsiher: John Wiley & Sons
Total Pages: 622
Release: 2013-02-04
ISBN 10: 3527645659
ISBN 13: 9783527645657
Language: EN, FR, DE, ES & NL

Lead Optimization for Medicinal Chemists Book Review:

Small structural modifications can significantly affect the pharmacokinetic properties of drug candidates. This book, written by a medicinal chemist for medicinal chemists, is a comprehensive guide to the pharmacokinetic impact of functional groups, the pharmacokinetic optimization of drug leads, and an exhaustive collection of pharmacokinetic data, arranged according to the structure of the drug, not its target or indication. The historical origins of most drug classes and general aspects of modern drug discovery and development are also discussed. The index contains all the drug names and synonyms to facilitate the location of any drug or functional group in the book. This compact working guide provides a wealth of information on the ways small structural modifications affect the pharmacokinetic properties of organic compounds, and offers plentiful, fact-based inspiration for the development of new drugs. This book is mainly aimed at medicinal chemists, but may also be of interest to graduate students in chemical or pharmaceutical sciences, preparing themselves for a job in the pharmaceutical industry, and to healthcare professionals in need of pharmacokinetic data.