June 18, 2021

Download Ebook Free Molecular Evolutionary Models In Drug Discovery

Molecular Evolutionary Models in Drug Discovery

Molecular Evolutionary Models in Drug Discovery
Author : Juan Bueno
Publisher : Academic Press
Release Date : 2020-01-22
Category : Medical
Total pages :192
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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

Preclinical Evaluation of Antimicrobial Nanodrugs

Preclinical Evaluation of Antimicrobial Nanodrugs
Author : Juan Bueno
Publisher : Springer Nature
Release Date : 2020-05-08
Category : Medical
Total pages :117
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Translational medicine addresses the gap between research and the clinical application of new discoveries. To efficiently deliver new drugs to care centers, a preclinical evaluation, both in vitro and in vivo, is required to ensure that the most active and least toxic compounds are selected as well as to predict clinical outcome. Antimicrobial nanomedicines have been shown to have higher specificity in their therapeutic targets and the ability to serve as adjuvants, increasing the effectiveness of pre-existing immune compounds. The design and development of new standardized protocols for evaluating antimicrobial nanomedicines is needed for both the industry and clinical laboratory. These protocols must aim to evaluate laboratory activity and present models of pharmacokinetic-pharmacodynamic and toxicokinetic behavior that predict absorption and distribution. Likewise, these protocols must follow a theranostics approach, be able to detect promising formulations, diagnose the infectious disease, and determine the correct treatment to implement a personalized therapeutic behavior. Given the possibilities that nanotechnology offers, not updating to new screening platforms is inadequate as it prevents the correct application of discoveries, increasing the effect of the valley of death between innovations and their use. This book is structured to discuss the fundamentals taken into account for the design of robust, reproducible and automatable evaluation platforms. These vital platforms should enable the discovery of new medicines with which to face antimicrobial resistance (RAM), one of the great problems of our time.

S&T Today

S&T Today
Author : Anonim
Publisher : Unknown
Release Date : 2005
Category : Research
Total pages :129
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Protein-Protein and Domain-Domain Interactions

Protein-Protein and Domain-Domain Interactions
Author : Pandjassarame Kangueane,Christina Nilofer
Publisher : Springer
Release Date : 2018-02-16
Category : Medical
Total pages :207
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This book illustrates the importance and significance of the molecular (physical and chemical) and evolutionary (gene fusion) principles of protein-protein and domain-domain interactions towards the understanding of cell division, disease mechanism and target definition in drug discovery. It describes the complex issues associated with this phenomenon using cutting edge advancement in Bioinformatics and Bioinformation Discovery. The chapters provide current information pertaining to the types of protein-protein complexes (homodimers, heterodimers, multimer complexes) in context with various specific and sensitive biological functions. The significance of such complex formation in human biology in the light of molecular evolution is also highlighted using several examples. The chapters also describe recent advancements on the molecular principles of protein-protein interaction with reference to evolution towards target identification in drug discovery. Finally, the book also elucidates a comprehensive yet a representative description of a large number of challenges associated with the molecular interaction of proteins.

Adaptive Systems in Drug Design

Adaptive Systems in Drug Design
Author : Gisbert Schneider
Publisher : CRC Press
Release Date : 2002-10-01
Category : Science
Total pages :169
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A brief history of drug design presented to make clear that there are fashions in this important field and that they change rather rapidly. This is due in part to the fact that the way that a new paradigm is accepted in a drug company often does not depend on its scientific merit alone.

Comprehensive medicinal chemistry II

Comprehensive medicinal chemistry II
Author : John B. Taylor,D. J. Triggle
Publisher : Elsevier Science Ltd
Release Date : 2007
Category : Computers
Total pages :7200
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The first edition of Comprehensive Medicinal Chemistry was published in 1990 and very well received. Comprehensive Medicinal Chemistry II is much more than a simple updating of the contents of the first edition. Completely revised and expanded, this new edition has been refocused to reflect the significant developments and changes over the past decade in genomics, proteomics, bioinformatics, combinatorial chemistry, high-throughput screening and pharmacology, and more. The content comprises the most up-to-date, authoritative and comprehensive reference text on contemporary medicinal chemistry and drug research, covering major therapeutic classes and targets, research strategy and organisation, high-throughput technologies, computer-assisted design, ADME and selected case histories. It is this coverage of the strategy, technologies, principles and applications of medicinal chemistry in a single work that will make Comprehensive Medicinal Chemistry II a unique work of reference and a single point of entry to the literature for pharmaceutical and biotechnology scientists of all disciplines and for many industry executives as well.Comprehensive Medicinal Chemistry II will be available online in 2007 via the proven platform ScienceDirect providing the user with enhanced features such as cross-referencing and dynamic linking. * Comprehensively reviews - for the first time in one single work - the strategies, technologies, principles and applications of modern medicinal chemistry * Provides a global and current perspective of today's drug discovery process and discusses the major therapeutic classes and targets * Includes a unique collection of case studies and personal assays reviewing the discovery and development of key drugs

Model Organisms in Drug Discovery

Model Organisms in Drug Discovery
Author : Pamela M. Carroll,Kevin Fitzgerald
Publisher : John Wiley & Sons
Release Date : 2003-11-21
Category : Medical
Total pages :288
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Fruit flies are "little people with wings" goes the saying in the scientific community, ever since the completion of the Human Genome Project and its revelations about the similarity amongst the genomes of different organisms. It is humbling that most signalling pathways which "define" humans are conserved in Drosophila, the common fruit fly. Feed a fruit fly caffeine and it has trouble falling asleep; feed it antihistamines and it cannot stay awake. A C. elegans worm placed on the antidepressant flouxetine has increased serotonin levels in its tiny brain. Yeast treated with chemotherapeutics stop their cell division. Removal of a single gene from a mouse or zebrafish can cause the animals to develop Alzheimer’s disease or heart disease. These organisms are utilized as surrogates to investigate the function and design of complex human biological systems. Advances in bioinformatics, proteomics, automation technologies and their application to model organism systems now occur on an industrial scale. The integration of model systems into the drug discovery process, the speed of the tools, and the in vivo validation data that these models can provide, will clearly help definition of disease biology and high-quality target validation. Enhanced target selection will lead to the more efficacious and less toxic therapeutic compounds of the future. Leading experts in the field provide detailed accounts of model organism research that have impacted on specific therapeutic areas and they examine state-of-the-art applications of model systems, describing real life applications and their possible impact in the future. This book will be of interest to geneticists, bioinformaticians, pharmacologists, molecular biologists and people working in the pharmaceutical industry, particularly genomics.

Journal of the American Statistical Association

Journal of the American Statistical Association
Author : American Statistical Association
Publisher : Unknown
Release Date : 2003
Category : Statistics
Total pages :129
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Computational Structure-based Methods to Anticipate HIV Drug Resistance Evolution and Accelerate Inhibitor Discovery

Computational Structure-based Methods to Anticipate HIV Drug Resistance Evolution and Accelerate Inhibitor Discovery
Author : Anonim
Publisher : Unknown
Release Date : 2008
Category :
Total pages :139
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The evolution of drug resistance in HIV has been a major obstacle in combating the AIDS epidemic, and development of the next generation of antiviral drugs will depend on improvements in the methodology addressing resistance. This work examines HIV evolution from a structural perspective, focusing on the development of methods to anticipate drug resistance and improve drug discovery efforts. To understand the evolution of HIV in the presence of inhibitors requires knowledge of viral replication capacity as well as drug resistance. Replication capacity can be predicted with a phylogenetic approach, which estimates impairment in HIV protease activity. Pairing these estimates with a structural model based on molecular docking allows the detection of most major clinically observed protease mutations. Combining structural modeling and analysis of existing protease mutations generates predictions of drug resistance mutations for an experimental protease inhibitor. Mutagenesis experiments validate these predictions, while also revealing epistatic interactions and cross-resistance with existing inhibitors. A fitness model based on predicted replication capacity and drug resistance is able to rank in vitro HIV mutant infectivity with significant accuracy. This fitness model is incorporated into a simulation of viral evolution, which correlates with clinically observed mutation prevalence. Simulations also affirm the high level of cross-resistance among protease inhibitors, highlighting the importance of alternative drug targets. Current drug discovery projects often use computer-based models of protein-ligand interaction for docking and virtual screening. A novel analysis of binding energy results from large-scale virtual screening identifies representative wild-type and mutant protease structures, focusing future efforts. Complementary efforts in the study of APS reductase reveal correlations between the distribution docking results and the underlying energy surface. Cluster analysis is shown to be an empirical measure of docking entropy which can improve the accuracy of binding energy predictions. Applying these insights in a virtual screen for new inhibitors of HIV protease, a library of 1,585 compounds is narrowed to 36 candidates. Five of these compounds prove to be inhibitors. Modeling indicates that two of them bind outside the protease active site, suggesting potential leads for a new class of protease inhibitor.

Successful Drug Discovery

Successful Drug Discovery
Author : János Fischer,Christian Klein,Wayne E. Childers
Publisher : John Wiley & Sons
Release Date : 2019-10-07
Category : Medical
Total pages :272
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Provides unique insider insight into the current drug development process, and what it takes to achieve success In this fourth volume in the series, inventors and primary developers of drugs that made it to the market continue telling the story of the drugs? discovery and development, and discuss the sometimes twisted route from the first drug candidate molecule to the final marketed one. Beginning with a general section addressing overarching topics for drug discovery, the book offers seven chapters that feature selected case studies describing recently introduced drugs or drug classes. These include small molecule drugs as well as biopharmaceuticals and range across different therapeutic fields. Together, they provide a representative cross-section of the present-day drug development effort. Successful Drug Discovery: Volume 4 covers trends in peptide-based drug discovery and the physicochemical properties of recently approved oral drugs. The section on drug class studies looks at antibody-drug conjugates and the discovery, evolution, and therapeutic potential of dopamine partial agonists. Featured case studies examine the discovery of Etelcalcetide for the treatment of secondary hyper-parathyroidism in patients with chronic kidney disease; the development of Lenvatinib Mesylate; the discovery and development of Venetoclax; and more. -Focuses on recently introduced drugs that have not been featured in any textbooks or general references, including Ocrelizumab, a new generation of anti-CD-20 mAb for the treatment of multiple sclerosis, and Venetoclax, a selective antagonist of BCL-2 -Features personal experiences of successful drug developers from industry and academia -Endorsed and supported by the International Union of Pure and Applied Chemistry (IUPAC) Successful Drug Discovery: Volume 4 provides a fascinating and informative look into the process of drug discovery and would be a great reference for those in the pharmaceutical industry, organic and pharmaceutical chemists, and lecturers in pharmacy.

Animal Models in Light of Evolution

Animal Models in Light of Evolution
Author : Niall Shanks,C. Ray Greek
Publisher : Universal-Publishers
Release Date : 2009
Category : Medical
Total pages :444
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The central concern of this book is with the "prediction problem" in biomedical research. In particular, the authors examine the use of animal models to predict human responses in drug and disease research. The arguments discussed are drawn from both biological and biomedical theory (with numerous examples and case studies drawn from evolutionary biology, complex systems theory, oncology, teratology, and AIDS research), and analyses of empirical evidence (concerning, for example, data on intra- and inter-species differences revealed by recent results from genome analyses of various species, human population studies, and statistical studies of the predictive utility of animal models). This book comes to the unique conclusion that while animals can be successfully used for many endeavors in science such as basic and comparative research, they cannot be used to predict drug and disease response in humans. The arguments presented are rooted in the history, philosophy, and methodology of biomedical research. This book will be of interest to anyone involved, directly or indirectly, in biomedical research (including physicians, veterinarians and scientists), and anyone interested in the history, philosophy and methodology of science. In contrast to books written by and for the animal rights movement and books written by and for the animal-based research industry, this book honestly examines all sides of the scientific arguments for using animals in science and concludes that each group in turn exaggerates the flaws or strengths of using animals. There are areas in science where animals can be viably used but there are also areas where they cannot be so used. REVIEWS See Philosophies, Ethics, and Humanities in Medicine 17 August 2010

Science

Science
Author : John Michels (Journalist)
Publisher : Unknown
Release Date : 2006
Category : Science
Total pages :129
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Molecular Genetic Medicine

Molecular Genetic Medicine
Author : Theodore Friedmann
Publisher : Elsevier
Release Date : 2013-10-22
Category : Science
Total pages :254
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Molecular Genetic Medicine, Volume I, provides an overview of the progress in several of the most important areas of modern molecular genetics and medicine. The aim is to present a technical and historical picture of the concept that it is through a thorough understanding of genetics of all kinds of human diseases, even infectious diseases, that effective treatments will finally come. The book opens with a discussion of the origins and development of the Human Genome Project. This is followed by separate chapters on the development of immune-deficient mice as models for human hematopoietic disease; the application of genetic techniques for testing identity and relatedness of persons; and advances in recombinant DNA technology and their applications in drug discovery. The final chapter discusses the impact of molecular biology and molecular evolution on debates about the origin of humans, and about the origins both of the characteristics that they share with other animals and of those that make humans unique.

AMSTAT News

AMSTAT News
Author : Anonim
Publisher : Unknown
Release Date : 2005
Category : Statistics
Total pages :129
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Materials Science and Engineering

Materials Science and Engineering
Author : Ke Wu,Bharath Natarajan,Lisa Morkowchuk,Mike Krein,Curt M. Breneman
Publisher : Elsevier Inc. Chapters
Release Date : 2013-07-10
Category : Technology & Engineering
Total pages :542
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The Materials Genome Initiative (MGI) was conceived as a unified effort to capture, curate, and exploit materials structure/property information on a grand scale to enable rapid, cost-effective development of novel materials with predictable properties. While the use of “genomic” methods to facilitate property prediction, virtual design, and discovery of materials is relatively new, the concepts driving the development of materials informatics are based, solidly, on the lessons learned during the development history of cheminformatics and bioinformatics. This chapter describes some of the ways in which cheminformatics and machine learning methods have been adapted for, and utilized in, materials science and engineering applications. Examples of how materials quantitative structure–property relationship (MQSPR) models are created, validated, and utilized are presented.