Scaffold Hopping in Medicinal Chemistry


Book Description

This first systematic treatment of the concept and practice of scaffold hopping shows the tricks of the trade and provides invaluable guidance for the reader's own projects. The first section serves as an introduction to the topic by describing the concept of scaffolds, their discovery, diversity and representation, and their importance for finding new chemical entities. The following part describes the most common tools and methods for scaffold hopping, whether topological, shape-based or structure-based. Methods such as CATS, Feature Trees, Feature Point Pharmacophores (FEPOPS), and SkelGen are discussed among many others. The final part contains three fully documented real-world examples of successful drug development projects by scaffold hopping that illustrate the benefits of the approach for medicinal chemistry. While most of the case studies are taken from medicinal chemistry, chemical and structural biologists will also benefit greatly from the insights presented here.




Protein-Ligand Interactions


Book Description

The lock-and-key principle formulated by Emil Fischer as early as the end of the 19th century has still not lost any of its significance for the life sciences. The basic aspects of ligand-protein interaction may be summarized under the term 'molecular recognition' and concern the specificity as well as stability of ligand binding. Molecular recognition is thus a central topic in the development of active substances, since stability and specificity determine whether a substance can be used as a drug. Nowadays, computer-aided prediction and intelligent molecular design make a large contribution to the constant search for, e. g., improved enzyme inhibitors, and new concepts such as that of pharmacophores are being developed. An up-to-date presentation of an eternally young topic, this book is an indispensable information source for chemists, biochemists and pharmacologists dealing with the binding of ligands to proteins.




Phage Display


Book Description

Phage-display technology has begun to make critical contributions to the study of molecular recognition. DNA sequences are cloned into phage, which then present on their surface the proteins encoded by the DNA. Individual phage are rescued through interaction of the displayed protein with a ligand, and the specific phage is amplified by infection of bacteria. Phage-display technology is powerful but challenging and the aim of this manual is to provide comprehensive instruction in its theoretical and applied so that any scientist with even modest molecular biology experience can effectively employ it. The manual reflects nearly a decade of experience with students of greatly varying technical expertise andexperience who attended a course on the technology at Cold Spring Harbor Laboratory. Phage-display technology is growing in importance and power. This manual is an unrivalled source of expertise in its execution and application.




Molecular Recognition and Inclusion


Book Description

This volume presents articles on the developing field of molecular interactions, molecular recognition, crystal engineering, and structural determination of complex molecular systems. The approaches described are interdisciplinary in nature, reflecting the concept of the ISMRI series of symposia.




Molecular Recognition and Polymers


Book Description

State-of-the-art techniques for tapping the vast potential of polymers The use of specific non-covalent interactions to control polymer structure and properties is a rapidly emerging field with applications in diverse disciplines. Molecular Recognition and Polymers covers the fundamental aspects and applications of molecular recognition—in the creation of novel polymeric materials for use in drug delivery, sensors, tissue engineering, molecular imprinting, and other areas. This reference begins by explaining the fundamentals of supramolecular polymers; it progresses to cover polymer formation and self-assembly with a wide variety of examples, and then includes discussions of biomolecular recognition using polymers. With chapters contributed by the foremost experts in their fields, this resource: Provides an integrated resource for supramolecular chemistry, polymer science, and interfacial science Covers advanced, state-of-the-art techniques used in the design and characterization of non-covalent interactions in polymers Illustrates how to tailor the properties of polymeric materials for various applications Stand-alone chapters address specific applications independently for easy reference. This is a premier resource for graduate students and researchers in polymer chemistry, supramolecular chemistry, materials science, and physical organic chemistry.




Advances in Molecular Nanotechnology Research and Application: 2011 Edition


Book Description

Advances in Molecular Nanotechnology Research and Application: 2011 Edition is a ScholarlyEditions™ eBook that delivers timely, authoritative, and comprehensive information about Molecular Nanotechnology. The editors have built Advances in Molecular Nanotechnology Research and Application: 2011 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Molecular Nanotechnology in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Advances in Molecular Nanotechnology Research and Application: 2011 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.




Searching for Molecular Solutions


Book Description

A comprehensive look at empirical approaches to molecular discovery, their relationships with rational design, and the future of both Empirical methods of discovery, along with serendipitous and rational design approaches, have played an important role in human history. Searching for Molecular Solutions compares empirical discovery strategies for biologically useful molecules with serendipitous discovery and rational design, while also considering the strengths and limitations of empirical pathways to molecular discovery. Logically arranged, this text examines the different modes of molecular discovery, empha-sizing the historical and ongoing importance of empirical strategies. Along with a broad overview of the subject matter, Searching for Molecular Solutions explores: The differing modes of molecular discovery Biological precedents for evolutionary approaches Directed evolutionary methods and related areas Enzyme evolution and design Functional nucleic acid discovery Antibodies and other recognition molecules General aspects of molecular recognition Small molecule discovery approaches Rational molecular design The interplay between empirical and rational strategies and their ongoing roles in the future of molecular discovery Searching for Molecular Solutions covers several major areas of modern research, development, and practical applications of molecular sciences. This text offers empirical-rational principles of broad relevance to scientists, professionals, and students interested in general aspects of molecular discovery, as well as the thought processes behind experimental approaches.




Scaffolds for Tissue Engineering


Book Description

Scaffolds for tissue engineering are devices that exploit specific and complex physical and biological functions, in vitro or in vivo, and communicate through biochemical and physical signals with cells and, when implanted, with the body environment. Scaffolds are produced mainly with synthetic materials, and their fabrication technologies are deri







Privileged Scaffolds in Medicinal Chemistry


Book Description

This book addresses the various classes of privileged scaffolds and covers the history of their discovery and use.