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Book Innovations and Implementations of Computer Aided Drug Discovery Strategies in Rational Drug Design

Download or read book Innovations and Implementations of Computer Aided Drug Discovery Strategies in Rational Drug Design written by Sanjeev Kumar Singh and published by Springer Nature. This book was released on 2021-02-02 with total page 334 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents various computer-aided drug discovery methods for the design and development of ligand and structure-based drug molecules. A wide variety of computational approaches are now being used in various stages of drug discovery and development, as well as in clinical studies. Yet, despite the rapid advances in computer software and hardware, combined with the exponential growth in the available biological information, there are many challenges that still need to be addressed, as this book shows. In turn, it shares valuable insights into receptor-ligand interactions in connection with various biological functions and human diseases. The book discusses a wide range of phylogenetic methods and highlights the applications of Molecular Dynamics Simulation in the drug discovery process. It also explores the application of quantum mechanics in order to provide better accuracy when calculating protein-ligand binding interactions and predicting binding affinities. In closing, the book provides illustrative descriptions of major challenges associated with computer-aided drug discovery for the development of therapeutic drugs. Given its scope, it offers a valuable asset for life sciences researchers, medicinal chemists and bioinformaticians looking for the latest information on computer-aided methodologies for drug development, together with their applications in drug discovery.

Book Molecular Biology of The Cell

Download or read book Molecular Biology of The Cell written by Bruce Alberts and published by . This book was released on 2002 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Book Structure Based Drug Design

Download or read book Structure Based Drug Design written by Pandi Veerapandian and published by Routledge. This book was released on 2018-03-29 with total page 665 pages. Available in PDF, EPUB and Kindle. Book excerpt: Introducing the most recent advances in crystallography, nuclear magnetic resonance, molecular modeling techniques, and computational combinatorial chemistry, this unique, interdisciplinary reference explains the application of three-dimensional structural information in the design of pharmaceutical drugs. Furnishing authoritative analyses by world-renowned experts, Structure-Based Drug Design discusses protein structure-based design in optimizing HIV protease inhibitors and details the biochemical, genetic, and clinical data on HIV-1 reverse transcriptase presents recent results on the high-resolution three-dimensional structure of the catalytic core domain of HIV-1 integrase as a foundation for divergent combination therapy focuses on structure-based design strategies for uncovering receptor antagonists to treat inflammatory diseases demonstrates a systematic approach to the design of inhibitory compounds in cancer treatment reviews current knowledge on the Interleukin-1 (IL-1) system and progress in the development of IL-1 modulators describes the influence of structure-based methods in designing capsid-binding inhibitors for relief of the common cold and much more!

Book Bioinformatics and Drug Discovery

Download or read book Bioinformatics and Drug Discovery written by Richard S. Larson and published by . This book was released on 2012 with total page 374 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent advances in drug discovery have been rapid. The second edition of Bioinformatics and Drug Discovery has been completely updated to include topics that range from new technologies in target identification, genomic analysis, cheminformatics, protein analysis, and network or pathway analysis. Each chapter provides an extended introduction that describes the theory and application of the technology. In the second part of each chapter, detailed procedures related to the use of these technologies and software have been incorporated. Written in the highly successful Methods in Molecular Biology series format, the chapters include the kind of detailed description and implementation advice that is crucial for getting optimal results in the laboratory. Thorough and intuitive, Bioinformatics and Drug Discovery, Second Edition seeks to aid scientists in the further study of the rapidly expanding field of drug discovery.

Book Bacterial Cell Wall

    Book Details:
  • Author : J.-M. Ghuysen
  • Publisher : Elsevier
  • Release : 1994-02-09
  • ISBN : 0080860877
  • Pages : 607 pages

Download or read book Bacterial Cell Wall written by J.-M. Ghuysen and published by Elsevier. This book was released on 1994-02-09 with total page 607 pages. Available in PDF, EPUB and Kindle. Book excerpt: Studies of the bacterial cell wall emerged as a new field of research in the early 1950s, and has flourished in a multitude of directions. This excellent book provides an integrated collection of contributions forming a fundamental reference for researchers and of general use to teachers, advanced students in the life sciences, and all scientists in bacterial cell wall research. Chapters include topics such as: Peptidoglycan, an essential constituent of bacterial endospores; Teichoic and teichuronic acids, lipoteichoic acids, lipoglycans, neural complex polysaccharides and several specialized proteins are frequently unique wall-associated components of Gram-positive bacteria; Bacterial cells evolving signal transduction pathways; Underlying mechanisms of bacterial resistance to antibiotics.

Book Structure and Function of Membrane Proteins

Download or read book Structure and Function of Membrane Proteins written by Ingeborg Schmidt-Krey and published by Humana. This book was released on 2021-04-21 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book examines detailed experimental and computational approaches for the analysis of many aspects vital to the understanding of membrane protein structure and function. Readers will receive guidance on the selection and use of methods for over-expression and purification, tools to characterize membrane proteins within different phospholipid bilayers, direction on functional studies, and approaches to determine the structures of membrane proteins. Detailed experimental steps for specific membrane proteins with critical notes allow the protocols to be modified to different systems. Written for the highly successful Methods in Molecular Biology series, chapters include the kind of practical information and implementation advice that leads to excellent, reproducible results. Authoritative and up-to-date, Structure and Function Studies of Membrane Proteins serves as an ideal guide for biologists, biochemists, and biophysicists striving to further understand these essential proteins and their many biological roles.

Book Nmr In Structural Biology  A Collection Of Papers By Kurt Wuthrich

Download or read book Nmr In Structural Biology A Collection Of Papers By Kurt Wuthrich written by Kurt Wuthrich and published by World Scientific. This book was released on 1995-07-31 with total page 760 pages. Available in PDF, EPUB and Kindle. Book excerpt: The volume presents a survey of the research by Kurt Wüthrich and his associates during the period 1965 to 1994. A selection of reprints of original papers on the use of NMR spectroscopy in structural biology is supplemented with an introduction, which outlines the foundations and the historical development of the use of NMR spectroscopy for the determination of three-dimensional structures of biological macromolecules in solution. The original papers are presented in groups highlighting protein structure determination by NMR, studies of dynamic properties and hydration of biological macromolecules, and practical applications of the NMR methodology in fields such as enzymology, transcriptional regulation, immunosuppression and protein folding.

Book Research Awards Index

Download or read book Research Awards Index written by and published by . This book was released on 1987 with total page 818 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Book Persistent Bacterial Infections

Download or read book Persistent Bacterial Infections written by James P. Nataro and published by . This book was released on 2000 with total page 482 pages. Available in PDF, EPUB and Kindle. Book excerpt: An examination of persistent bacterial infections in the light of ecological and evolutionary principles. - Focuses on the principles of parasitism and commensalism and our ability to distinguish the two states. - Explores the ways in which persistent infections differ from acute, self-limiting bacterial infections and how both differ from the nonpathogenic commensal state. - Addresses coevolution, host adaptation, natural selection, and other fundamental biological principles. - Serves as a resource for investigators and advanced students in the field of bacterial pathogenesis.

Book Computational Drug Design

    Book Details:
  • Author : D. C. Young
  • Publisher : John Wiley & Sons
  • Release : 2009-01-28
  • ISBN : 9780470451847
  • Pages : 344 pages

Download or read book Computational Drug Design written by D. C. Young and published by John Wiley & Sons. This book was released on 2009-01-28 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt: Helps you choose the right computational tools and techniques to meet your drug design goals Computational Drug Design covers all of the major computational drug design techniques in use today, focusing on the process that pharmaceutical chemists employ to design a new drug molecule. The discussions of which computational tools to use and when and how to use them are all based on typical pharmaceutical industry drug design processes. Following an introduction, the book is divided into three parts: Part One, The Drug Design Process, sets forth a variety of design processes suitable for a number of different drug development scenarios and drug targets. The author demonstrates how computational techniques are typically used during the design process, helping readers choose the best computational tools to meet their goals. Part Two, Computational Tools and Techniques, offers a series of chapters, each one dedicated to a single computational technique. Readers discover the strengths and weaknesses of each technique. Moreover, the book tabulates comparative accuracy studies, giving readers an unbiased comparison of all the available techniques. Part Three, Related Topics, addresses new, emerging, and complementary technologies, including bioinformatics, simulations at the cellular and organ level, synthesis route prediction, proteomics, and prodrug approaches. The book's accompanying CD-ROM, a special feature, offers graphics of the molecular structures and dynamic reactions discussed in the book as well as demos from computational drug design software companies. Computational Drug Design is ideal for both students and professionals in drug design, helping them choose and take full advantage of the best computational tools available. Note: CD-ROM/DVD and other supplementary materials are not included as part of eBook file.

Book Antibiotic Drug Resistance

    Book Details:
  • Author : José-Luis Capelo-Martínez
  • Publisher : John Wiley & Sons
  • Release : 2019-09-24
  • ISBN : 1119282527
  • Pages : 730 pages

Download or read book Antibiotic Drug Resistance written by José-Luis Capelo-Martínez and published by John Wiley & Sons. This book was released on 2019-09-24 with total page 730 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a thorough and authoritative overview of the multifaceted field of antibiotic science – offering guidance to translate research into tools for prevention, diagnosis, and treatment of infectious diseases. Provides readers with knowledge about the broad field of drug resistance Offers guidance to translate research into tools for prevention, diagnosis, and treatment of infectious diseases Links strategies to analyze microbes to the development of new drugs, socioeconomic impacts to therapeutic strategies, and public policies to antibiotic-resistance-prevention strategies

Book Biomedical Index to PHS supported Research  pt  A  Subject access A H

Download or read book Biomedical Index to PHS supported Research pt A Subject access A H written by and published by . This book was released on 1992 with total page 1064 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Book Computational Pharmaceutics

Download or read book Computational Pharmaceutics written by Defang Ouyang and published by John Wiley & Sons. This book was released on 2015-07-20 with total page 350 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular modeling techniques have been widely used in drug discovery fields for rational drug design and compound screening. Now these techniques are used to model or mimic the behavior of molecules, and help us study formulation at the molecular level. Computational pharmaceutics enables us to understand the mechanism of drug delivery, and to develop new drug delivery systems. The book discusses the modeling of different drug delivery systems, including cyclodextrins, solid dispersions, polymorphism prediction, dendrimer-based delivery systems, surfactant-based micelle, polymeric drug delivery systems, liposome, protein/peptide formulations, non-viral gene delivery systems, drug-protein binding, silica nanoparticles, carbon nanotube-based drug delivery systems, diamond nanoparticles and layered double hydroxides (LDHs) drug delivery systems. Although there are a number of existing books about rational drug design with molecular modeling techniques, these techniques still look mysterious and daunting for pharmaceutical scientists. This book fills the gap between pharmaceutics and molecular modeling, and presents a systematic and overall introduction to computational pharmaceutics. It covers all introductory, advanced and specialist levels. It provides a totally different perspective to pharmaceutical scientists, and will greatly facilitate the development of pharmaceutics. It also helps computational chemists to look for the important questions in the drug delivery field. This book is included in the Advances in Pharmaceutical Technology book series.

Book Microbial Surfaces

    Book Details:
  • Author : Terri A. Camesano
  • Publisher : Amer Chemical Society
  • Release : 2008
  • ISBN : 9780841274303
  • Pages : 354 pages

Download or read book Microbial Surfaces written by Terri A. Camesano and published by Amer Chemical Society. This book was released on 2008 with total page 354 pages. Available in PDF, EPUB and Kindle. Book excerpt: The interactions of microbes with surfaces are important to many natural and engineered processes, affecting a wide range of applications from decontamination of surfaces or drinking water, prevention of microbial colonization of biomaterials, and bacterial processes in the environment. Therefore, there is great interest in understanding the fundamental behavior of microbes at surfaces. Topics are included that address interactions of cells with a number of surfaces for antifouling and microbial cell-based sensor applications; mechanistic studies of antimicrobial peptides and quorum sensing; exploration of experimental and theoretical models of a cell surface; cell surface display of peptides and enzymes as biofabrication techniques; the fate and transport of bacteria in the natural environment, as well as new experimental tools or modeling techniques to study interactions at the microbial surface. While most of the papers are geared towards a specific application, they all contain fundamental information regarding bacterial behavior at interfaces that allows their contents to translate to other problems, as well. For example, many parallels are noted between the way bacteria interact with proteins-coated polymers on a catheter and bacterial-peptide interactions in a cellular detection assay. An overlying theme of all the manuscripts is that they represent studies of microbial interfaces using the most sophisticated experimental and modeling tools available, and many feature interdisciplinary approaches to tackling the given problems.

Book Homology Molecular Modeling

    Book Details:
  • Author : Rafael Trindade Maia
  • Publisher : BoD – Books on Demand
  • Release : 2021-03-10
  • ISBN : 1839628057
  • Pages : 147 pages

Download or read book Homology Molecular Modeling written by Rafael Trindade Maia and published by BoD – Books on Demand. This book was released on 2021-03-10 with total page 147 pages. Available in PDF, EPUB and Kindle. Book excerpt: Homology modeling is an extremely useful and versatile technique that is gaining more and more space and demand in research in computational and theoretical biology. This book, “Homology Molecular Modeling - Perspectives and Applications”, brings together unpublished chapters on this technique. In this book, 7 chapters are intimately related to the theme of molecular modeling, carefully selected and edited for academic and scientific readers. It is an indispensable read for anyone interested in the areas of bioinformatics and computational biology. Divided into 4 sections, the reader will have a didactic and comprehensive view of the theme, with updated and relevant concepts on the subject. This book was organized from researchers to researchers with the aim of spreading the fascinating area of molecular modeling by homology.

Book Toxin Antitoxin Systems in Pathogenic Bacteria

Download or read book Toxin Antitoxin Systems in Pathogenic Bacteria written by Juan Carlos Alonso and published by Mdpi AG. This book was released on 2021-06-17 with total page 170 pages. Available in PDF, EPUB and Kindle. Book excerpt: Bacterial toxin-antitoxin (TA) systems, which are ubiquitously present in bacterial genomes, are not essential for normal cell proliferation. The TA systems regulate fundamental cellular processes, facilitate survival under stress conditions, have essential roles in virulence and represent potential therapeutic targets. These genetic TA loci are also shown to be involved in the maintenance of successful multidrug-resistant mobile genetic elements. The TA systems are classified as types I to VI, according to the nature of the antitoxin and to the mode of toxin inhibition. Type II TA systems encode a labile antitoxin and its stable toxin; degradation of the antitoxin renders a free toxin, which is bacteriostatic by nature. A free toxin generates a reversible state with low metabolic activity (quiescence) by affecting important functions of bacterial cells such as transcription, translation, DNA replication, replication and cell-wall synthesis, biofilm formation, phage predation, the regulation of nucleotide pool, etc., whereas antitoxins are toxin inhibitors. Under stress conditions, the TA systems might form networks. To understand the basis of the unique response of TA systems to stress, the prime causes of the emergence of drug-resistant strains, and their contribution to therapy failure and the development of chronic and recurrent infections, must be known in order to grasp how TA systems contribute to the mechanisms of phenotypic heterogeneity and pathogenesis that will enable the rational development of new treatments for infections caused by pathogens.