Download or read book Quantitative Methods in System Based Drug Discovery written by Yuzhen Luo and published by . This book was released on 2016 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Modern pharmaceutical industries have faced significant challenges to deliver safe and effective medicines because of significant toxicity and severe side effects of discovered drugs. On the other hand, recent developments and advances in system-based pharmacology aim to address these challenges. In this chapter, we provide an overview of quantitative methods for system-based drug discovery. System-based drug discovery integrates chemical, molecular, and systematic information and applies this knowledge to the designing of small molecules with controlled toxicity and minimized side effects. First, we discuss current approaches for drug discovery and outline their advantages and disadvantages. Next, we introduce basic concepts of systems pharmacology with an emphasis on ligand-based drug discovery and target identification. This is followed by a discussion on structure-based drug design and statistical tools for pharmaceutical research. Finally, we provide an overview of future directions in systems pharmacology that will guide further developments.
Download or read book Drug Design Strategies written by David J. Livingstone and published by Royal Society of Chemistry. This book was released on 2012 with total page 517 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book brings together drug design practitioners, all leaders in their field, who are actively advancing the field of quantitative methods to guide drug discovery, from structure-based design to empirical statistical models - from rule-based approaches to toxicology to the fields of bioinformatics and systems biology. The aim of the book is to show how various facets of the drug discovery process can be addressed in a quantitative fashion (ie: numerical analysis to enable robust predictions to be made). Each chapter includes a brief review of the topic showing the historical development of.
Download or read book Quantitative Methods in Pharmaceutical Research and Development written by Olga V. Marchenko and published by Springer Nature. This book was released on 2020-09-24 with total page 445 pages. Available in PDF, EPUB and Kindle. Book excerpt: This contributed volume presents an overview of concepts, methods, and applications used in several quantitative areas of drug research, development, and marketing. Chapters bring together the theories and applications of various disciplines, allowing readers to learn more about quantitative fields, and to better recognize the differences between them. Because it provides a thorough overview, this will serve as a self-contained resource for readers interested in the pharmaceutical industry, and the quantitative methods that serve as its foundation. Specific disciplines covered include: Biostatistics Pharmacometrics Genomics Bioinformatics Pharmacoepidemiology Commercial analytics Operational analytics Quantitative Methods in Pharmaceutical Research and Development is ideal for undergraduate students interested in learning about real-world applications of quantitative methods, and the potential career options open to them. It will also be of interest to experts working in these areas.
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!
Download or read book Quantitative Methods for Precision Medicine written by Rongling Wu and published by CRC Press. This book was released on 2022-12-26 with total page 307 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modern medicine is undergoing a paradigm shift from a "one-size-fits-all" strategy to a more precise patient-customized therapy and medication plan. While the success of precision medicine relies on the level of pharmacogenomic knowledge, dissecting the genetic mechanisms of drug response in a sufficient detail requires powerful computational tools. Quantitative Methods for Precision Medicine: Pharmacogenomics in Action presents the advanced statistical methods for mapping pharmacogenetic control by integrating pharmacokinetic and pharmacodynamic principles of drug-body interactions. Beyond traditional reductionist-based statistical genetic approaches, statistical formulization in this book synthesizes elements of multiple disciplines to infer, visualize, and track how pharmacogenes interact together as an intricate but well-coordinated system to mediate patient-specific drug response. Features: Functional and systems mapping models to characterize the genetic architecture of multiple medication processes Statistical methods for analyzing informative missing data in pharmacogenetic association studies Functional graph theory of inferring genetic interaction networks from association data Leveraging the concept of epistasis to capture its bidirectional, signed and weighted properties Modeling gene-induced cell-cell crosstalk and its impact on drug response A graph model of drug-drug interactions in combination therapies Critical methodological issues to improve pharmacogenomic research as the cornerstone of precision medicine This book is suitable for graduate students and researchers in the fields of biology, medicine, bioinformatics and drug design and delivery who are interested in statistical and computational modelling of biological processes and systems. It may also serve as a major reference for applied mathematicians, computer scientists, and statisticians who attempt to develop algorithmic tools for genetic mapping, systems pharmacogenomics and systems biology. It can be used as both a textbook and research reference. Professionals in pharmaceutical sectors who design drugs and clinical doctors who deliver drugs will also find it useful.
Download or read book Quantitative Systems Pharmacology written by Davide Manca and published by Elsevier. This book was released on 2018-07-18 with total page 418 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantitative Systems Pharmacology: Models and Model-Based Systems with Applications, Volume 42, provides a quantitative approach to problem-solving that is targeted to engineers. The book gathers the contributions of doctors, pharmacists, biologists, and chemists who give key information on the elements needed to model a complex machine like the human body. It presents information on diagnoses, administration and release of therapeutics, distribution metabolism and excretion of drugs, compartmental pharmacokinetics, physiologically-based pharmacokinetics, pharmacodynamics, identifiability of models, numerical methods for models identification, design of experiments, in vitro and in vivo models, and more. As the pharma community is progressively acknowledging that a quantitative and systematic approach to drug administration, release, pharmacokinetics and pharmacodynamics is highly recommended to understand the mechanisms and effects of drugs, this book is a timely resource. Outlines a model-based approach (based on Process Systems Engineering-OSE and Computer Aided Process Engineering-CAPE) in quantitative pharmacology Explains how therapeutics work in the human body and how anatomy and physiology influences drug efficacy Discusses how drugs are driven to specific targets using nanoparticles Offers insight into how in vitro and in vivo experiments help understand the drug mechanism of action and optimize their performance Includes case studies showing the positive outcome of these methods in personalized therapies, therapeutic drug monitoring, clinical trials analysis and drug formulation
Download or read book Quantitative Drug Design written by Yvonne C. Martin and published by CRC Press. This book was released on 2010-05-06 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since the publication of the first edition, the field has changed dramatically. Scientists can now explicitly consider 3D features in quantitative structure-activity relationship (QSAR) studies and often have the 3D structure of the macromolecular target to guide the 3D QSAR. Improvements in computer hardware and software have also made the methods
Download or read book The Emerging Discipline of Quantitative Systems Pharmacology written by Tarek A. Leil and published by Frontiers Media SA. This book was released on 2015-09-07 with total page 99 pages. Available in PDF, EPUB and Kindle. Book excerpt: In 2011, the National Institutes of Health (NIH), in collaboration with leaders from the pharmaceutical industry and the academic community, published a white paper describing the emerging discipline of Quantitative Systems Pharmacology (QSP), and recommended the establishment of NIH-supported interdisciplinary research and training programs for QSP. QSP is still in its infancy, but has tremendous potential to change the way we approach biomedical research. QSP is really the integration of two disciplines that have been increasingly useful in biomedical research; “Systems Biology” and “Quantitative Pharmacology”. Systems Biology is the field of biomedical research that seeks to understand the relationships between genes and biologically active molecules to develop qualitative models of these systems; and Quantitative Pharmacology is the field of biomedical research that seeks to use computer aided modeling and simulation to increase our understanding of the pharmacokinetics (PK) and pharmacodynamics (PD) of drugs, and to aid in the design of pre-clinical and clinical experiments. The purpose of QSP modeling is to develop quantitative computer models of biological systems and disease processes, and the effects of drug PK and PD on those systems. QSP models allow testing of numerous potential experiments “in-silico” to eliminate those associated with a low probability of success, avoiding the potential costs of evaluating all of those failed experiments in the real world. At the same time, QSP models allow us to develop our understanding of the interaction between drugs and biological systems in a more systematic and rigorous manner. As the need to be more cost-efficient in the use of research funding increases, biomedical researchers will be required to gain the maximum insight from each experiment that is conducted. This need is even more acute in the pharmaceutical industry, where there is tremendous competition to develop innovative therapies in a highly regulated environment, combined with very high research and development (R&D) costs for bringing new drugs to market (~$1.3 billion/drug). Analogous modeling & simulation approaches have been successfully integrated into other disciplines to improve the fundamental understanding of the science and to improve the efficiency of R&D (e.g., physics, engineering, economics, etc.). The biomedical research community has been slow to integrate computer aided modeling & simulation for many reasons: including the perception that biology and pharmacology are “too complex” and “too variable” to be modeled with mathematical equations; a lack of adequate graduate training programs; and the lack of support from government agencies that fund biomedical research. However, there is an active community of researchers in the pharmaceutical industry, the academic community, and government agencies that develop QSP and quantitative systems biology models and apply them both to better characterize and predict drug pharmacology and disease processes; as well as to improve efficiency and productivity in pharmaceutical R&D.
Download or read book Quantitative Analysis of Cellular Drug Transport Disposition and Delivery written by Gus R. Rosania and published by . This book was released on 2021 with total page 453 pages. Available in PDF, EPUB and Kindle. Book excerpt: This thorough book explores some of the most important methods and concepts affecting the quantitative analysis of the transport, targeting, and disposition of chemicals within cells, which in turn impact the macroscopic pharmacokinetics of chemical agents in the whole organism. The first half of the volume focuses on small organic molecules with drug-like characteristics, while the second half delves into the cellular pharmacokinetics of biologics and other macromolecules, including peptide therapeutics, cyclotides, antibodies, as well as nanoparticles, thus creating a comprehensive treatise that approaches cellular pharmacokinetics from the different perspectives of pharmaceutical scientists, chemical biologists, medicinal chemists, and protein engineers dealing with very different chemical agents spanning a wide range of sizes, physicochemical properties, and targeting mechanisms. Written for the Methods in Pharmacology and Toxicology series, chapters provide the kind of key detail and expert implementation advice that leads to excellent results in the lab. Synthetic biologists, biophysicists, and bioengineers are amongst the long list of scientists who could benefit from reading this book or from using it as a textbook. Authoritative and practical, Quantitative Analysis of Cellular Drug Transport, Disposition, and Delivery builds on a long history of drug development and the adding of quantitative methods at the cellular scale in order to inspire new approaches to drug development that are better able to take advantage of phenomena such as soluble-to-insoluble phase transitions or bispecific targeting, which could ultimately be exploited for the development of more effective drug delivery systems and therapeutic agents.
Download or read book Complex Systems Sustainability and Innovation written by Ciza Thomas and published by BoD – Books on Demand. This book was released on 2016-12-14 with total page 128 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book on complex systems, sustainability, and innovation explores a broad set of ideas and presents some of the state-of-the-art research in this field concisely in six chapters. In a complex system, it is difficult to know exactly how the individual components contribute to an observed behavior and the extent of each component's contributions. It is the interactions of the individual components that determine the emergent functionalities. This makes it difficult to understand and predict the behavior of complex systems and hence the effects of any innovations in this field. This necessitates for the emergence of a new age of innovations with the main focus on user orientation and sustainability. This book explores some of the complex systems and their dependence on the environment to provide a long-term perspective, aiding innovations and supporting a sustainable society. The intended audience of this book will mainly consist of researchers, research students, and practitioners in the field of complex systems and sustainability.
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 Modern Methods of Drug Discovery written by Alexander Hillisch and published by Springer Science & Business Media. This book was released on 2002-12-11 with total page 312 pages. Available in PDF, EPUB and Kindle. Book excerpt: Research in the pharmaceutical industry today is in many respects quite different from what it used to be only fifteen years ago. There have been dramatic changes in approaches for identifying new chemical entities with a desired biological activity. While chemical modification of existing leads was the most important approach in the 1970s and 1980s, high-throughput screening and structure-based design are now major players among a multitude of methods used in drug discov ery. Quite often, companies favor one of these relatively new approaches over the other, e.g., screening over rational design, or vice versa, but we believe that an intelligent and concerted use of several or all methods currently available to drug discovery will be more successful in the medium term. What has changed most significantly in the past few years is the time available for identifying new chemical entities. Because of the high costs of drug discovery projects, pressure for maximum success in the shortest possible time is higher than ever. In addition, the multidisciplinary character of the field is much more pronounced today than it used to be. As a consequence, researchers and project managers in the pharmaceutical industry should have a solid knowledge of the more important methods available to drug discovery, because it is the rapidly and intelligently combined use of these which will determine the success or failure of preclinical projects.
Download or read book PHARMACEUTICAL PHD THESIS WRITING AND CONDUCTING THE RESEARCH STEP BY STEP GUIDANCE written by DR PATHAN AZHER KHAN and published by Pristyn Research Solutions. This book was released on 2024-06-13 with total page 237 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book offers extensive and valuable advice for researchers starting with pharmaceutical studies and doctoral dissertation writing. The contributors provide precise, detailed instructions covering every phase of the research process, from choosing a topic to sharing findings, because they know the intricacies and difficulties that come with it. Essential topics covered in the book include writing a professional thesis, conducting literature reviews, planning experimental methods, and guaranteeing ethical human and animal research procedures. The book promises to provide researchers with the information and abilities required to succeed academically and professionally in the pharmaceutical sciences through helpful guidance, software tool recommendations, and communication techniques. Summary of the book This thorough manual is vital for researchers since it covers every pharmaceutical research and thesis composing stage. It starts with methods for choosing a study topic that is both possible and relevant. Key areas of exploration are identified by utilizing resources such as YouTube, LinkedIn, published papers, and reviews. The book leads users through creating a synopsis and offers precise, step-by-step guidance on successfully communicating your research. Essential phases of carrying out an exhaustive literature study are addressed, guaranteeing that you establish a firm basis by examining current material and pinpointing deficiencies. After that, the book moves on to planning and carrying out experiments, emphasising the significance of physicochemical characterisation, drug and excipient compatibility, and formulation development. It emphasises using QbD principles to optimise and evaluate various dosage forms alongside in vitro studies. Practical aspects of conducting animal and human studies ethically and effectively are addressed, followed by guidance on writing a compelling thesis. The book underscores the significance of professional writing in achieving a doctoral certificate and provides tips for image preparation, crucial for thesis writing. It also discusses various statistical, drug design, and research writing software tools. Finally, the guide prepares you for defending your thesis and offers advice on publishing and disseminating your findings to ensure your research reaches a broader audience. With its step-by-step approach and accessible language, this book is an invaluable companion for researchers embarking on pharmaceutical research and thesis writing across diverse fields.
Download or read book Quantitative Molecular Pharmacology and Informatics in Drug Discovery written by Michael Lutz and published by John Wiley & Sons. This book was released on 2000-01-10 with total page 438 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantitative Molecular Pharmacology and Informatics in Drug Discovery Michael Lutz, Section Head, Cheminformatics Group and Terry Kenakin, Principal Research Scientist, Glaxo Wellcome Research and Development, Research Triangle Park, NC, USA Quantitative Molecular Pharmacology and Informatics in Drug Discovery combines pharmacology, genetics and statistics to provide a complete guide to the modern drug discovery process. The book discusses the pharmacology of drug testing and provides a detailed description of the statistical methods used to analyze the resulting data. Application of genetic and genomic tools for identification of biological targets is reviewed in the context of drug discovery projects. Covering both the theoretical principles upon which the techniques are based and the practicalities of drug discovery, this informative guide. * outlines in step-by-step detail the advantages and disadvantages of each technology and approach and links these to the type of chemical target being sought after in the drug discovery process; and, * provides excellent demonstrations of how to use powerful pharmacological and statistical tools to optimize high-throughput screening assays. Written by two internationally known and well-regarded experts, this book is an essential reference for research and development scientists working in the pharmaceutical and biotechnology industries. It will also be useful for postgraduates studying pharmacology and applied statistics.
Download or read book QSAR and Drug Design New Developments and Applications written by H. Timmerman and published by Elsevier. This book was released on 1995-11-20 with total page 509 pages. Available in PDF, EPUB and Kindle. Book excerpt: Based on topics presented at the Annual Japanese (Quantitative) Structure-Activity Relationship Symposium and the Biennial China-Japan Drug Design and Development conference, the topics in this volume cover almost every procedure and subdiscipline in the SAR discipline. They are categorized in three sections. Section one includes topics illustrating newer methodologies relating to ligand-receptor, molecular graphics and receptor modelling as well as the three-dimensional (Q)SAR examples with the active analogue approach and the comparative molecular field analysis. In section 2 the hydrophobicity parameters, log P (1-octanol/water) for compound series of medicinal-chemical interest are analysed physico-organic chemically. Section 3 contains the examples based on the traditional Hansch QSAR approach. A variety of methodologies and procedures are presented in this single volume, along with their methodological philosophies.
Download or read book Quantitative Methods for Precision Medicine written by Rongling Wu and published by CRC Press. This book was released on 2022-12-26 with total page 288 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modern medicine is undergoing a paradigm shift from a "one-size-fits-all" strategy to a more precise patient-customized therapy and medication plan. While the success of precision medicine relies on the level of pharmacogenomic knowledge, dissecting the genetic mechanisms of drug response in a sufficient detail requires powerful computational tools. Quantitative Methods for Precision Medicine: Pharmacogenomics in Action presents the advanced statistical methods for mapping pharmacogenetic control by integrating pharmacokinetic and pharmacodynamic principles of drug-body interactions. Beyond traditional reductionist-based statistical genetic approaches, statistical formulization in this book synthesizes elements of multiple disciplines to infer, visualize, and track how pharmacogenes interact together as an intricate but well-coordinated system to mediate patient-specific drug response. Features: Functional and systems mapping models to characterize the genetic architecture of multiple medication processes Statistical methods for analyzing informative missing data in pharmacogenetic association studies Functional graph theory of inferring genetic interaction networks from association data Leveraging the concept of epistasis to capture its bidirectional, signed and weighted properties Modeling gene-induced cell-cell crosstalk and its impact on drug response A graph model of drug-drug interactions in combination therapies Critical methodological issues to improve pharmacogenomic research as the cornerstone of precision medicine This book is suitable for graduate students and researchers in the fields of biology, medicine, bioinformatics and drug design and delivery who are interested in statistical and computational modelling of biological processes and systems. It may also serve as a major reference for applied mathematicians, computer scientists, and statisticians who attempt to develop algorithmic tools for genetic mapping, systems pharmacogenomics and systems biology. It can be used as both a textbook and research reference. Professionals in pharmaceutical sectors who design drugs and clinical doctors who deliver drugs will also find it useful.
Download or read book Drug Design written by E. J. Ariëns and published by Elsevier. This book was released on 2013-10-22 with total page 441 pages. Available in PDF, EPUB and Kindle. Book excerpt: Drug Design, Volume VIII covers a critical review and new extensions of quantitative methods in drug design, the design of particular types of agents, such as synthetic sweeteners, and selective ion binding compounds. The book discusses the advances in the methodology of quantitative drug design; the application of pattern recognition to drug design; and the design of controlled drug delivery systems. The text also describes the use of receptor binding as a tool in the development of new bioactive steroids; the design of synthetic sweeteners; and the prospective assessment of environmental effects of chemicals. The design of selective ion binding macrocyclic compounds and their biological applications are also encompassed. Chemists, pharmacologists, biochemists, and people involved in drug design and manufacture will find the book invaluable.
