Applied Biophysics For Drug Discovery

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Applied Biophysics for Drug Discovery

Donald Huddler,Edward R. Zartler
Applied Biophysics for Drug Discovery Book PDF

Author : Donald Huddler,Edward R. Zartler
Publisher : John Wiley & Sons
Page : 148 pages
File Size : 54,5 Mb
Release : 2017-10-02
Category : Science
ISBN : 9781119099482

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Applied Biophysics for Drug Discovery by Donald Huddler,Edward R. Zartler Pdf

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 Techniques in Drug Discovery

Angeles Canales
Biophysical Techniques in Drug Discovery Book PDF

Author : Angeles Canales
Publisher : Royal Society of Chemistry
Page : 336 pages
File Size : 50,9 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.

Biophysical and Computational Tools in Drug Discovery

Anil Kumar Saxena
Biophysical and Computational Tools in Drug Discovery Book PDF

Author : Anil Kumar Saxena
Publisher : Springer Nature
Page : 405 pages
File Size : 46,6 Mb
Release : 2021-10-18
Category : Science
ISBN : 9783030852818

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Biophysical and Computational Tools in Drug Discovery by Anil Kumar Saxena Pdf

This book reviews recent physicochemical and biophysical techniques applied in drug discovery research, and it outlines the latest advances in computational drug design. Divided into 10 chapters, the book discusses about the role of structural biology in drug discovery, and offers useful application cases of several biophysical and computational methods, including time-resolved fluorometry (TRF) with Förster resonance energy transfer (FRET), X-Ray crystallography, nuclear magnetic resonance spectroscopy, mass spectroscopy, generative machine learning for inverse molecular design, quantum mechanics/molecular mechanics (QM/MM,ONIOM) and quantum molecular dynamics (QMT) methods. Particular attention is given to computational search techniques applied to peptide vaccines using novel mathematical descriptors and structure and ligand-based virtual screening techniques in drug discovery research. Given its scope, the book is a valuable resource for students, researchers and professionals from pharmaceutical industry interested in drug design and discovery.

Structural Biology in Drug Discovery

Jean-Paul Renaud
Structural Biology in Drug Discovery Book PDF

Author : Jean-Paul Renaud
Publisher : John Wiley & Sons
Page : 1367 pages
File Size : 43,8 Mb
Release : 2020-01-09
Category : Medical
ISBN : 9781118900505

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Structural Biology in Drug Discovery by Jean-Paul Renaud Pdf

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

Biophysical Methods for Biotherapeutics

Tapan K. Das
Biophysical Methods for Biotherapeutics Book PDF

Author : Tapan K. Das
Publisher : John Wiley & Sons
Page : 376 pages
File Size : 53,8 Mb
Release : 2014-02-27
Category : Medical
ISBN : 9781118354681

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Biophysical Methods for Biotherapeutics by Tapan K. Das Pdf

With a focus on practical applications of biophysical techniques, this book links fundamental biophysics to the process of biopharmaceutical development. • Helps formulation and analytical scientists in pharma and biotech better understand and use biophysical methods • Chapters organized according to the sequential nature of the drug development process • Helps formulation, analytical, and bioanalytical scientists in pharma and biotech better understand and usestrengths and limitations of biophysical methods • Explains how to use biophysical methods, the information obtained, and what needs to be presented in a regulatory filing, assess impact on quality and immunogenicity • With a focus on practical applications of biophysical techniques, this book links fundamental biophysics to the process of biopharmaceutical development.

Deep Learning for the Life Sciences

Bharath Ramsundar,Peter Eastman,Patrick Walters,Vijay Pande
Deep Learning for the Life Sciences Book PDF

Author : Bharath Ramsundar,Peter Eastman,Patrick Walters,Vijay Pande
Publisher : O'Reilly Media
Page : 236 pages
File Size : 44,8 Mb
Release : 2019-04-10
Category : Science
ISBN : 9781492039808

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Deep Learning for the Life Sciences by Bharath Ramsundar,Peter Eastman,Patrick Walters,Vijay Pande Pdf

Deep learning has already achieved remarkable results in many fields. Now it’s making waves throughout the sciences broadly and the life sciences in particular. This practical book teaches developers and scientists how to use deep learning for genomics, chemistry, biophysics, microscopy, medical analysis, and other fields. Ideal for practicing developers and scientists ready to apply their skills to scientific applications such as biology, genetics, and drug discovery, this book introduces several deep network primitives. You’ll follow a case study on the problem of designing new therapeutics that ties together physics, chemistry, biology, and medicine—an example that represents one of science’s greatest challenges. Learn the basics of performing machine learning on molecular data Understand why deep learning is a powerful tool for genetics and genomics Apply deep learning to understand biophysical systems Get a brief introduction to machine learning with DeepChem Use deep learning to analyze microscopic images Analyze medical scans using deep learning techniques Learn about variational autoencoders and generative adversarial networks Interpret what your model is doing and how it’s working

Biochemistry, Biophysics, and Molecular Chemistry

Francisco Torrens,Debarshi Kar Mahapatra,A. K. Haghi
Biochemistry Biophysics and Molecular Chemistry Book PDF

Author : Francisco Torrens,Debarshi Kar Mahapatra,A. K. Haghi
Publisher : CRC Press
Page : 294 pages
File Size : 53,5 Mb
Release : 2020-04-07
Category : Medical
ISBN : 9781000001488

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Biochemistry, Biophysics, and Molecular Chemistry by Francisco Torrens,Debarshi Kar Mahapatra,A. K. Haghi Pdf

Biochemistry, Biophysics, and Molecular Chemistry: Applied Research and Interactions provides the background needed in biophysics and molecular chemistry and offers a great deal of advanced biophysical knowledge. It emphasizes the growing interrelatedness of molecular chemistry and biochemistry, and acquaints one with experimental methods of both disciplines. This book addresses some of the enormous advances in biochemistry, particularly in the areas of structural biology and bioinformatics, by providing a solid biochemical foundation that is rooted in chemistry. Topics include scientific integrity and ethics in the field; clinical translational research in cancer, diabetes, and cardiovascular disease; emerging drugs to treat neurodegenerative diseases; swine, avian, and human flu; the use of big data in artificial knowledge in the field; bioinformatic insights on molecular chemistry; and much more.

Systems Biology in Drug Discovery and Development

Daniel L. Young,Seth Michelson
Systems Biology in Drug Discovery and Development Book PDF

Author : Daniel L. Young,Seth Michelson
Publisher : John Wiley & Sons
Page : 376 pages
File Size : 41,7 Mb
Release : 2011-09-23
Category : Medical
ISBN : 9781118016428

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Systems Biology in Drug Discovery and Development by Daniel L. Young,Seth Michelson Pdf

The first book to focus on comprehensive systems biology as applied to drug discovery and development Drawing on real-life examples, Systems Biology in Drug Discovery and Development presents practical applications of systems biology to the multiple phases of drug discovery and development. This book explains how the integration of knowledge from multiple sources, and the models that best represent that integration, inform the drug research processes that are most relevant to the pharmaceutical and biotechnology industries. The first book to focus on comprehensive systems biology and its applications in drug discovery and development, it offers comprehensive and multidisciplinary coverage of all phases of discovery and design, including target identification and validation, lead identification and optimization, and clinical trial design and execution, as well as the complementary systems approaches that make these processes more efficient. It also provides models for applying systems biology to pharmacokinetics, pharmacodynamics, and candidate biomarker identification. Introducing and explaining key methods and technical approaches to the use of comprehensive systems biology on drug development, the book addresses the challenges currently facing the pharmaceutical industry. As a result, it is essential reading for pharmaceutical and biotech scientists, pharmacologists, computational modelers, bioinformaticians, and graduate students in systems biology, pharmaceutical science, and other related fields.

Small Molecule Drug Discovery

Andrea Trabocchi,Elena Lenci
Small Molecule Drug Discovery Book PDF

Author : Andrea Trabocchi,Elena Lenci
Publisher : Elsevier
Page : 358 pages
File Size : 43,9 Mb
Release : 2019-11-23
Category : Science
ISBN : 9780128183502

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Small Molecule Drug Discovery by Andrea Trabocchi,Elena Lenci Pdf

Small Molecule Drug Discovery: Methods, Molecules and Applications presents the methods used to identify bioactive small molecules, synthetic strategies and techniques to produce novel chemical entities and small molecule libraries, chemoinformatics to characterize and enumerate chemical libraries, and screening methods, including biophysical techniques, virtual screening and phenotypic screening. The second part of the book gives an overview of privileged cyclic small molecules and major classes of natural product-derived small molecules, including carbohydrate-derived compounds, peptides and peptidomimetics, and alkaloid-inspired compounds. The last section comprises an exciting collection of selected case studies on drug discovery enabled by small molecules in the fields of cancer research, CNS diseases and infectious diseases. The discovery of novel molecular entities capable of specific interactions represents a significant challenge in early drug discovery. Small molecules are low molecular weight organic compounds that include natural products and metabolites, as well as drugs and other xenobiotics. When the biological target is well defined and understood, the rational design of small molecule ligands is possible. Alternatively, small molecule libraries are being used for unbiased assays for complex diseases where a target is unknown or multiple factors contribute to a disease pathology. Outlines modern concepts and synthetic strategies underlying the building of small molecules and their chemical libraries useful for drug discovery Provides modern biophysical methods to screening small molecule libraries, including high-throughput screening, small molecule microarrays, phenotypic screening and chemical genetics Presents the most advanced chemoinformatics tools to characterize the structural features of small molecule libraries in terms of chemical diversity and complexity, also including the application of virtual screening approaches Gives an overview of structural features and classification of natural product-derived small molecules, including carbohydrate derivatives, peptides and peptidomimetics, and alkaloid-inspired small molecules

Molecular Evolutionary Models in Drug Discovery

Juan Bueno
Molecular Evolutionary Models in Drug Discovery Book PDF

Author : Juan Bueno
Publisher : Academic Press
Page : 194 pages
File Size : 44,8 Mb
Release : 2020-01-22
Category : Medical
ISBN : 9780128189290

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Molecular Evolutionary Models in Drug Discovery by Juan Bueno Pdf

Molecular Evolutionary Models in Drug Discovery explores the application of evolutionary molecular models in drug discovery in which secondary metabolites play a fundamental role. Secondary metabolites are not produced in isolation, they are the result of the interaction of genes, metabolism and the environment. The book examines the role of secondary metabolites as leads in drug discovery and on the development of a rational bioprospecting model for new medicines based on the evolution of secondary metabolism. These evolutionary models are part of biological systems and are the most reliable expression of the functioning of living beings. Examines the integration and application of evolutionary models in the pharmaceutical industry to create new drug development platforms Investigates the biotechnological prospecting of secondary metabolites and their potential use in the discovery of new drugs Evaluates the ecosystem of living beings and how its molecular adaptation might improve the success of therapies

Biophysical Approaches Determining Ligand Binding to Biomolecular Targets

Alberto Podjarny,Annick P Dejaegere,Bruno Kieffer
Biophysical Approaches Determining Ligand Binding to Biomolecular Targets Book PDF

Author : Alberto Podjarny,Annick P Dejaegere,Bruno Kieffer
Publisher : Royal Society of Chemistry
Page : 260 pages
File Size : 48,5 Mb
Release : 2011-04-01
Category : Science
ISBN : 9781849732666

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Biophysical Approaches Determining Ligand Binding to Biomolecular Targets by Alberto Podjarny,Annick P Dejaegere,Bruno Kieffer Pdf

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.

Structure-based Drug Discovery

Harren Jhoti,Andrew R. Leach
Structure based Drug Discovery Book PDF

Author : Harren Jhoti,Andrew R. Leach
Publisher : Springer
Page : 0 pages
File Size : 46,9 Mb
Release : 2010-10-19
Category : Science
ISBN : 9048171237

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Structure-based Drug Discovery by Harren Jhoti,Andrew R. Leach Pdf

This book describes some of the most exciting developments for the discovery of new drugs, such as Fragment-based methods. It contains the latest developments in technologies that can be used to obtain the 3-D structures. This book includes experimental approaches using X-ray crystallography and NMR for Fragment-based screening as well as other biophysical methods for studying protein/ligand interactions.

Chemical Epigenetics

Antonello Mai
Chemical Epigenetics Book PDF

Author : Antonello Mai
Publisher : Springer Nature
Page : 569 pages
File Size : 44,9 Mb
Release : 2020-03-31
Category : Science
ISBN : 9783030429829

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Chemical Epigenetics by Antonello Mai Pdf

This book presents an authoritative review of the most significant findings about all the epigenetic targets (writers, readers, and erasers) and their implication in physiology and pathology. The book also covers the design, synthesis and biological validation of epigenetic chemical modulators, which can be useful as novel chemotherapeutic agents. Particular attention is given to the chemical mechanisms of action of these molecules and to the drug discovery prose which allows their identification. This book will appeal to students who want to know the extensive progresses made by epigenetics (targets and modulators) in the last years from the beginning, and to specialized scientists who need an instrument to quickly search and check historical and/or updated notices about epigenetics.

Introduction to Modern Biophysics

Mohammad Ashrafuzzaman
Introduction to Modern Biophysics Book PDF

Author : Mohammad Ashrafuzzaman
Publisher : CRC Press
Page : 603 pages
File Size : 54,9 Mb
Release : 2023-12-15
Category : Science
ISBN : 9781003821649

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Introduction to Modern Biophysics by Mohammad Ashrafuzzaman Pdf

This textbook provides an introduction to the fundamental and applied aspects of biophysics for advanced undergraduate and graduate students of physics, chemistry, and biology. The application of physics principles and techniques in exploring biological systems has long been a tradition in scientific research. Biological systems hold naturally inbuilt physical principles and processes which are popularly explored. Systematic discoveries help us understand the structures and functions of individual biomolecules, biomolecular systems, cells, organelles, tissues, and even the physiological systems of animals and plants. Utilizing a physics- based scientific understanding of biological systems to explore disease is at the forefront of applied scientific research. This textbook covers key breakthroughs in biophysics whilst looking ahead to future horizons and directions of research. It contains models based on both classical and quantum mechanical treatments of biological systems. It explores diseases related to physical alterations in biomolecular structures and organizations alongside drug discovery strategies. It also discusses the cutting- edge applications of nanotechnologies in manipulating nanoprocesses in biological systems. Key Features: • Presents an accessible introduction to how physics principles and techniques can be used to understand biological and biochemical systems. • Addresses natural processes, mutations, and their purposeful manipulation. • Lays the groundwork for vitally important natural scientific, technological, and medical advances. Mohammad Ashrafuzzaman, a biophysicist and condensed matter scientist, is passionate about investigating biological and biochemical processes utilizing physics principles and techniques. He is a professor of biophysics at King Saud University’s Biochemistry Department in the College of Science, Riyadh, Saudi Arabia; the co- founder of MDT Canada Inc., and the founder of Child Life Development Institute, Edmonton, Canada. He has authored Biophysics and Nanotechnology of Ion Channels, Nanoscale Biophysics of the Cell, and Membrane Biophysics. He has also published about 50 peer- reviewed articles and several patents, edited two books, and has been serving on the editorial boards of Elsevier and Bentham Science journals. Dr. Ashrafuzzaman has held research and academic ranks at Bangladesh University of Engineering & Technology, University of Neuchatel (Switzerland), Helsinki University of Technology (Finland), Weill Medical College of Cornell University (USA), and University of Alberta (Canada). During 2013– 2018 he also served as a Visiting Professor at the Departments of Oncology, and Medical Microbiology and Immunology, of the University of Alberta. Dr. Ashrafuzzaman earned his highest academic degree, Doctor of Science (D.Sc.) in condensed matter physics from the University of Neuchatel, Switzerland in 2004.

Molecular Dynamics and Machine Learning in Drug Discovery

Sergio Decherchi,Andrea Cavalli,Pratyush Tiwary,Francesca Grisoni
Molecular Dynamics and Machine Learning in Drug Discovery Book PDF

Author : Sergio Decherchi,Andrea Cavalli,Pratyush Tiwary,Francesca Grisoni
Publisher : Frontiers Media SA
Page : 119 pages
File Size : 51,5 Mb
Release : 2021-06-08
Category : Science
ISBN : 9782889668632

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Molecular Dynamics and Machine Learning in Drug Discovery by Sergio Decherchi,Andrea Cavalli,Pratyush Tiwary,Francesca Grisoni Pdf

Dr. Sergio Decherchi and Dr. Andrea Cavalli are co-founders of BiKi Technologies s.r.l. - a company that commercializes a Molecular Dynamics-based software suite for drug discovery. All other Topic Editors declare no competing interests with regards to the Research Topic subject.