Download or read book Mining High throughput Screening Data to Accelerate Drug Lead Discovery written by Anang A. Shelat and published by . This book was released on 2005 with total page 260 pages. Available in PDF, EPUB and Kindle. Book excerpt: In Chapter 4, we discuss the need to approach drug discovery as a multivariate optimization problem and describe the Assay Reporter---an informatics platform that integrates both chemical and biological information in order to identify "good" molecules suitable for further development. Future plans to introduce elements of computational learning into the Assay Reporter framework are detailed in Chapter 5.
Download or read book High Throughput Screening in Drug Discovery written by Jörg Hüser and published by John Wiley & Sons. This book was released on 2006-12-13 with total page 362 pages. Available in PDF, EPUB and Kindle. Book excerpt: Backed by leading authorities, this is a professional guide to successful compound screening in pharmaceutical research and chemical biology, including the chemoinformatic tools needed for correct data evaluation. Chapter authors from leading pharmaceutical companies as well as from Harvard University discuss such factors as chemical genetics, binding, cell-based and biochemical assays, the efficient use of compound libraries and data mining using cell-based assay results. For both academics and professionals in the pharma and biotech industries working on small molecule screening.
Download or read book Data Mining in Drug Discovery written by Rémy D. Hoffmann and published by John Wiley & Sons. This book was released on 2013-09-25 with total page 322 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written for drug developers rather than computer scientists, this monograph adopts a systematic approach to mining scientifi c data sources, covering all key steps in rational drug discovery, from compound screening to lead compound selection and personalized medicine. Clearly divided into four sections, the first part discusses the different data sources available, both commercial and non-commercial, while the next section looks at the role and value of data mining in drug discovery. The third part compares the most common applications and strategies for polypharmacology, where data mining can substantially enhance the research effort. The final section of the book is devoted to systems biology approaches for compound testing. Throughout the book, industrial and academic drug discovery strategies are addressed, with contributors coming from both areas, enabling an informed decision on when and which data mining tools to use for one's own drug discovery project.
Download or read book High Throughput Screening for Drug Discovery written by Shailendra K. Saxena and published by BoD – Books on Demand. This book was released on 2022-05-25 with total page 130 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book focuses on various aspects and properties of high-throughput screening (HTS), which is of great importance in the development of novel drugs to treat communicable and non-communicable diseases. Chapters in this volume discuss HTS methodologies, resources, and technologies and highlight the significance of HTS in personalized and precision medicine.
Download or read book High Throughput Screening Methods written by Joshua A. Bittker and published by Royal Society of Chemistry. This book was released on 2016-12-08 with total page 416 pages. Available in PDF, EPUB and Kindle. Book excerpt: High throughput screening remains a key part of early stage drug and tool compound discovery, and methods and technologies have seen many fundamental improvements and innovations over the past 20 years. This comprehensive book provides a historical survey of the field up to the current state-of-the-art. In addition to the specific methods, this book also considers cultural and organizational questions that represent opportunities for future success. Following thought-provoking foreword and introduction from Professor Stuart Schreiber and the editors, chapters from leading experts across academia and industry cover initial considerations for screening, methods appropriate for different goals in small molecule discovery, newer technologies that provide alternative approaches to traditional miniaturization procedures, and practical aspects such as cost and resourcing. Within the context of their historical development, authors explain common pitfalls and their solutions. This book will serve as both a practical reference and a thoughtful guide to the philosophy underlying technological change in such a fast-moving area for postgraduates and researchers in academia and industry, particularly in the areas of chemical biology, pharmacology, structural biology and assay development.
Download or read book A Practical Guide to Assay Development and High Throughput Screening in Drug Discovery written by Taosheng Chen and published by CRC Press. This book was released on 2009-12-21 with total page 291 pages. Available in PDF, EPUB and Kindle. Book excerpt: The development of suitable assays, the integration of appropriate technology, and the effective management of the essential infrastructure are all critical to the success of any high-throughput screening (HTS) endeavor. However, few scientists have the multidisciplinary experience needed to control all aspects of an HTS drug discovery project. A P
Download or read book High Throughput Screening Methods Techniques and Applications written by Geoff Holdgate and published by . This book was released on 2020-04-25 with total page 490 pages. Available in PDF, EPUB and Kindle. Book excerpt: High Throughput Screening (HTS) is one of several hit identification approaches that are part of a developing and evolving toolbox for the discovery of pharmaceutical start points. HTS remains one of the most successful approaches, and therefore an important foundation of drug discovery. In this book leading industrial and academic experts in screening and drug discovery explain key technologies and methods while demonstrating how they can be applied to successful hit identification. Describing both traditional and emerging methods in detail, this book provides an overview of these methods to the reader that will serve both those new to the field and expert scientists alike. The book provides readers with an outline of key elements in the areas of assay development, detailed descriptions of a range of both biochemical and cell-based screening methodologies and strategies, as well as highlighting important steps in data analysis. By describing the basic principles of methods commonly used in HTS, this book provides an illuminating introduction to HTS, capturing established good practice within the field, thereby imparting both the industrial and academic researcher with the knowledge required to work effectively in both todays and the hit identification laboratories of the future.
Download or read book Statistical Machine Learning and Data Mining for Chemoinformatics and Drug Discovery written by Chloe-Agathe Azencott and published by . This book was released on 2010 with total page 192 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modern therapeutic research is a very time-consuming, complex and costly process which can considerably benefit from the use of statistical machine learning techniques. In particular, using predictive models to quantify the toxicity or activity of a molecule allows to considerably alleviate the cost of the discovery and development of a new drug. We develop and study structure-based feature representations of small molecules and successfully leverage them to create predictors for several of their chemical, physical and biological properties. We address the prediction of biological activity more in depth by studying virtual high-throughput screening (vHTS), which aims at exploiting a first exploratory biological screen to learn how to rank untested compounds according to their activity against a particular target. More specifically, we present a new algorithm, the Influence Relevance Voter (IRV), particularly tailored to that problem, and show that it is preferable to state-of-the-art methods. One of the most desirable qualities of a vHTS algorithm is its ability to present the most active compounds in the very top ranked molecules. This capacity for what is called "early recognition" allows experimentalists to focus only on a small fraction of the compounds. To properly analyze and compare virtual high-throughput screening algorithms, we develop the concentrated receiving-operator characteristic (CROC) framework, an extension of the ROC framework for the quantitative evaluation, visualization, and optimization of early recognition. Finally we develop machine learning methods for the challenging problem of reaction prediction. Inspired by human chemists, we study elementary reaction steps; in this approach reaction prediction becomes a matter of learning to rank elementary mechanisms by favorability. We do not address this task directly, but rather undertake two necessary preliminary problems. We first develop a large database of elementary mechanisms, annotated with favorability information. We then propose a feature representation of the atoms of a molecule, which we leverage to predict whether or not they belong to a site of reactivity; eventually such a classifier can be used to filter out disfavored elementary reactions.
Download or read book Lead Generation Approaches in Drug Discovery written by Zoran Rankovic and published by John Wiley & Sons. This book was released on 2010-04-07 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt: An integrated overview of modern approaches to lead discovery Lead generation is increasingly seen as a distinct and success-determining phase of the drug discovery process. Over recent years, there have been major advances in the understanding of what constitutes a good lead compound and how to improve the chances of finding such a compound. Written by leading scientists and established opinion leaders from industry and academia, this book provides an authoritative overview of the field, as well as the theory, practice, and scope, of the principal Lead Generation Approaches in Drug Discovery, including: The evolution of the lead discovery process, key concepts, current challenges, and future directions Strategies and technologies driving the high-throughput screening (HTS) approach to lead discovery, including the shifting paradigms in the design of compound collections and best practice in the hit confirmation process Knowledge-based in silico or "virtual" screening Theory and practice of the fragment-based approach to lead discovery The opportunities and challenges presented by multi-target drug discovery (MTDD) De novo design of lead compounds and new approaches to estimating the synthetic accessibility of de novo–designed molecules The impact of natural products on drug discovery, and potential of natural product–like compounds for exploring regions of biologically relevant chemical space Using early screening of hits and leads for metabolic, pharmacokinetic, and toxicological liabilities to reduce attrition during the later phases of drug discovery The utility of parallel synthesis and purification in lead discovery With each topic supported by numerous case studies, this is indispensable reading for researchers in industry and academia who wish to keep up to date with the latest strategies and approaches in drug discovery.
Download or read book Preclinical Drug Discovery written by Royal Society of Chemistry and published by . This book was released on 2014-01-31 with total page 288 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is one of a three-volume set that provides theoretical, practical and troubleshooting guidelines on all aspects of the pre-clinical Drug Discovery process. There is particular focus on the design, development and role of screening assays in Drug Discovery, including new developments and future trends, the main assay types utilized in screening campaigns, and the methods utilized in enabling the progression of ""Hits"" to ""Leads"" and ""Candidates"" The books will also fill current gaps in the literature such as primary, stem cell and other novel assay methods. Other relatively new research areas included are siRNA, high content screening, protein-protein interactions, pathway assays, non micro-titre plate based assays, label free assays, IT tools, approaches to identify biopharmaceuticals, emerging models and future trends in Drug Discovery.
Download or read book Modern Approaches in Drug Discovery written by and published by Academic Press. This book was released on 2018-10-31 with total page 340 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modern Approaches in Drug Discovery, Volume 611, the latest release in the Methods in Enzymology series, highlights new advances in the field, with this new volume presenting interesting chapters on topics such as Target Identification and Validation, Cell Painting/High Content Imaging, Target ID using chemical probes, Mining the microbiome for targets, Data driven approaches for diversity and drug-likeness, Affinity-based screening, Fragment screening (X-ray), Array-based approaches, Hit-to-lead: assessment and improvement of drug-like properties, Hit assessment and prioritization, Lead Optimization: fine tuning and risk mitigation, and more. Provides the authority and expertise of leading contributors from an international board of authors Presents the latest release in the Methods in Enzymology series Updated release includes the latest information on the Intrinsically Disordered Proteins
Download or read book Improving and Accelerating Therapeutic Development for Nervous System Disorders written by Institute of Medicine and published by National Academies Press. This book was released on 2014-02-06 with total page 107 pages. Available in PDF, EPUB and Kindle. Book excerpt: Improving and Accelerating Therapeutic Development for Nervous System Disorders is the summary of a workshop convened by the IOM Forum on Neuroscience and Nervous System Disorders to examine opportunities to accelerate early phases of drug development for nervous system drug discovery. Workshop participants discussed challenges in neuroscience research for enabling faster entry of potential treatments into first-in-human trials, explored how new and emerging tools and technologies may improve the efficiency of research, and considered mechanisms to facilitate a more effective and efficient development pipeline. There are several challenges to the current drug development pipeline for nervous system disorders. The fundamental etiology and pathophysiology of many nervous system disorders are unknown and the brain is inaccessible to study, making it difficult to develop accurate models. Patient heterogeneity is high, disease pathology can occur years to decades before becoming clinically apparent, and diagnostic and treatment biomarkers are lacking. In addition, the lack of validated targets, limitations related to the predictive validity of animal models - the extent to which the model predicts clinical efficacy - and regulatory barriers can also impede translation and drug development for nervous system disorders. Improving and Accelerating Therapeutic Development for Nervous System Disorders identifies avenues for moving directly from cellular models to human trials, minimizing the need for animal models to test efficacy, and discusses the potential benefits and risks of such an approach. This report is a timely discussion of opportunities to improve early drug development with a focus toward preclinical trials.
Download or read book Integrated Drug Discovery Technologies written by Houng-Yau Mei and published by CRC Press. This book was released on 2002-03-19 with total page 561 pages. Available in PDF, EPUB and Kindle. Book excerpt: Integrated Drug Discovery Technologies provides a global overview of emerging drug development technologies by presenting and integrating new techniques from the disciplines of chemistry, biology, and computational sciences. It combines integration of contemporary mechanization with strategies in drug delivery. Topics include: target identification and validation, functional genomics, microfabrication techniques, integrated proteomics technologies, high throughput screening, fluorescence correlation spectroscopy methods, and screening lead compounds in the post-genomic era.
Download or read book High Throughput Screening in Drug Discovery written by Amancio Carnero and published by CRC Press. This book was released on 2017-02-15 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Drug discovery is a highly complex and multidisciplinary process. High throughput screening (HTS) uses the technologies of automation to collect a large amount of experimental data in a relatively short time. This book presents a comprehensive view of the HTS process for drug discovery, with its benefits and pitfalls, advantages, and problems. It provides an overview of different platforms and examples of successful applications of HTS in drug discovery using different technologies applied to each specific project.
Download or read book Preclinical Drug Discovery written by Sheraz Gul and published by . This book was released on 2012-10 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: These books provide theoretical, practical and troubleshooting guidelines on various aspects of the pre-clinical drug discovery process.
Download or read book Automated High Throughput Drug Target Crystallography written by and published by . This book was released on 2005 with total page 16 pages. Available in PDF, EPUB and Kindle. Book excerpt: The molecular structures of drug target proteins and receptors form the basis for 'rational' or structure guided drug design. The majority of target structures are experimentally determined by protein X-ray crystallography, which as evolved into a highly automated, high throughput drug discovery and screening tool. Process automation has accelerated tasks from parallel protein expression, fully automated crystallization, and rapid data collection to highly efficient structure determination methods. A thoroughly designed automation technology platform supported by a powerful informatics infrastructure forms the basis for optimal workflow implementation and the data mining and analysis tools to generate new leads from experimental protein drug target structures.
Download or read book Computational Drug Discovery written by Prof Mohammed and published by Biocuration Labs. This book was released on 2015-09-05 with total page 36 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book has originated from Practical class on Genomics & Proteomics that are offered to students of Computational Biology, Bangalore University of Bangalore. The idea to write a book on Computational Biology was born during the preparations of these practical where I realized that it is extremely difficult to achieve an overview of the area of Drug Discovery and to follow the progress of this field. This is the first book in 2015 and was written in English .Computational Biology is a major topic in modern medical, Life science and pharmacological research and is of central importance in the computational biology science. Accordingly, The enormous increase in data on Drug Designing has led me to leave out the practical on Computational Biology and. This topic has since evolved into a huge research area of its own that could not be considered adequately within this book. My knowledge of Drug Designing practical has exploded in the past 5 years, Bioinformatics could be treated here with the same thoroughness. It is the aim of the present book to describe the Bioinformatics practical approach for life science students.
