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The book "Drug Selectivity - An Evolving Concept in Medicinal Chemistry" provides a current overview and comprehensive compilation for medicinal chemists that discusses the effects of aiming for multiple targets on the entire drug development process. The result is a broad survey of current and future strategies for drug selectivity in medicinal chemistry with theoretical but also practical aspects. Different strategies are presented and evaluated, such as various design approaches, merged multiple ligands, discovery technologies and a broad range of successful examples of unselective drugs taken from all major disease areas. With its wide-ranging view of an emerging new paradigm in drug development, this handbook is of prime importance for every medicinal and pharmaceutical chemist.
Edited by world-famous pioneers in chemoinformatics, this is a clearly structured and applications-oriented approach to the topic, providing up-to-date and focused information on the wide range of applications in this exciting field. The authors explain methods and software tools, such that the reader will not only learn the basics but also how to use the different software packages available. Experts describe applications in such different fields as structure-spectra correlations, virtual screening, prediction of active sites, library design, the prediction of the properties of chemicals, the development of new cosmetics products, quality control in food, the design of new materials with improved properties, toxicity modeling, assessment of the risk of chemicals, and the control of chemical processes. The book is aimed at advanced students as well as lectures but also at scientists that want to learn how chemoinformatics could assist them in solving their daily scientific tasks. Together with the corresponding textbook Chemoinformatics - Basic Concepts and Methods (ISBN 9783527331093) on the fundamentals of chemoinformatics readers will have a comprehensive overview of the field.
This book represents a case study based overview of many different aspects of drug development, ranging from target identification and characterization to chemical optimization for efficacy and safety, as well as bioproduction of natural products utilizing for example lichen. In the last section, special aspects of the formal drug development process are discussed. Since drug development is a highly complex multidisciplinary process, case studies are an excellent tool to obtain insight in this field. While each chapter gives specific insight and may be read as an independent source of information, the whole book represents a unique collection of different facets giving insight in the complexity of drug development.
Drug discovery and development involve complex processes, highly integrated interdisciplinary research, and collaborations between academic groups and the private sector. It is a long and resource-intensive endeavor characterized by a high attrition rate. Yet new strategies are being explored, aiming at accelerating the development of novel treatments, from the combination of artificial intelligence with cutting-edge experimental approaches, and the development of novel types of therapeutic agents to personalized medicine. Because drug discovery and development is a vast field with many stakeholders and potential conflicts of interest, it is important that the general public gains basic know...
Advances in Food and Nutrition Research recognizes the integral relationship between the food and nutritional sciences and brings together outstanding and comprehensive reviews that highlight this relationship. Contributions detail scientific developments in the broad areas of food science and nutrition and are intended to provide those in academia and industry with the latest information on emerging research in these constantly evolving sciences. - The latest important information for food scientists and nutritionists - Peer-reviewed articles by a panel of respected scientists - The go-to series since 1948
This eBook is a collection of articles from a Frontiers Research Topic. Frontiers Research Topics are very popular trademarks of the Frontiers Journals Series: they are collections of at least ten articles, all centered on a particular subject. With their unique mix of varied contributions from Original Research to Review Articles, Frontiers Research Topics unify the most influential researchers, the latest key findings and historical advances in a hot research area! Find out more on how to host your own Frontiers Research Topic or contribute to one as an author by contacting the Frontiers Editorial Office: frontiersin.org/about/contact.
Establishment of a normal phenotype involves dynamic epigenetic regulation of gene expression that when affected contributes to human diseases. On a molecular level, epigenetic regulation is marked by specific covalent modifications (acetylation, methylation, phosphorylation, sumoylation, PARylation and ubiquitylation) of DNA and its associated histones. Studies also suggest the influence of such epigenetic modifications on non-coding RNA expression implicated in normal and diseased phenotypes. Epigenetic control of genetic expression is a reversible process essential for normal development and function of an organism. Alteration of epigenetic regulation leads to various disease forms such a...
Massive experimental, computational, and clinical studies have been performed worldwide, and are still ongoing, to understand and characterize Covid-19 molecular basis and transmission mechanisms, to develop diagnostics and vaccines, and to search for small chemical drug candidates and therapeutic proteins and peptides. Impressive results have been obtained for transmission control and vaccines so far, but what is the status of the other therapeutic options? The crisis has exposed different types of weaknesses in biomedical research in many countries. What can we learn from this crisis in the field of drug discovery and development so as to emerge stronger? The Covid-19 crisis has revealed t...
The book covers theoretical background and methodology as well as all current applications of Quantitative Structure-Activity Relationships (QSAR). Written by an international group of recognized researchers, this edited volume discusses applications of QSAR in multiple disciplines such as chemistry, pharmacy, environmental and agricultural sciences addressing data gaps and modern regulatory requirements. Additionally, the applications of QSAR in food science and nanoscience have been included – two areas which have only recently been able to exploit this versatile tool. This timely addition to the series is aimed at graduate students, academics and industrial scientists interested in the latest advances and applications of QSAR.
The book summarizes important aspects of cheminformatics that are relevant for natural product research. It highlights cheminformatics tools that help to match natural products with their respective biological targets or off-targets, and discusses the potential and limitations of this approach.