Pseudo-dynamic Combinatorial Libraries

Pseudo-dynamic Combinatorial Libraries
Author: Jeremy D. Cheeseman
Publisher:
Total Pages: 314
Release: 2004
Genre:
ISBN:

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"Emerging methods of combinatorial chemistry involve receptor assistance to combine synthesis and screening. Binding to the receptor alters either the thermodynamics or kinetics of synthesis. Dynamic combinatorial chemistry uses reversible synthesis where binding to the receptor shifts the equilibrium to make more of the best binders. In target-accelerated synthesis, binding of the starting materials to the receptor speeds up the synthesis of the best-binding compounds. We report a new receptor-assisted method---pseudo-dynamic combinatorial chemistry---where binding to a receptor slows the destruction of the best-binding compounds. In pseudo-dynamic libraries, synthesis and destruction of library members are separate, irreversible reactions. Extending the destruction reaction amplifies binding differences similar to a kinetic resolution of enantiomers. Initial libraries of two to eight dipeptides, some containing an aryl sulfonamide moiety that binds to carbonic anhydrase, showed that a ratio of >100:1 of the best binding dipeptide over the next best was possible. These experiments also suggested that the selectivity is related to the number of compounds in a library, with more library members producing higher selectivity (a highly desirable result opposite that seen in traditional dynamic libraries). Expansion of these libraries to include compounds containing sulfonamides, aryl sulfonamides, sulfamates and hydroxamic acids further support postulations as to the origins of the high selectivity of these systems, and take the number of compounds screened by a pseudo-dynamic library closer to practical levels for drug discovery." --

Dynamic Combinatorial Chemistry

Dynamic Combinatorial Chemistry
Author: Benjamin L. Miller
Publisher: John Wiley & Sons
Total Pages: 280
Release: 2009-12-30
Genre: Science
ISBN: 9780470551547

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Effective techniques for applying Dynamic Combinatorial Chemistry In a relatively short period, Dynamic Combinatorial Chemistry (DCC) has grown from proof-of-concept experiments in a few isolated labs to a broad conceptual framework with applications to an exceptional range of problems in molecular recognition, lead compound identification, catalyst design, nanotechnology, polymer science, and others. Bringing together a group of respected experts, this overview explains how chemists can apply DCC and fragment-based library methods to lead generation for drug discovery and molecular recognition in bioorganic chemistry and materials science. Chapters cover: Basic theory Approaches to binding in proteins and nucleic acids Molecular recognition Self-sorting Catalyst discovery Materials discovery Analytical chemistry challenges A comprehensive, single-source reference about DCC methods and applications including aspects of fragment-based drug discovery, this is a core reference that will spark the development of new solutions and strategies for chemists building structure libraries and designing compounds and materials.

Macrocyclic and Supramolecular Chemistry

Macrocyclic and Supramolecular Chemistry
Author: Reed M. Izatt
Publisher: John Wiley & Sons
Total Pages: 501
Release: 2016-08-01
Genre: Science
ISBN: 1119053846

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This book commemorates the 25th anniversary of the International Izatt-Christensen Award in Macrocyclic and Supramolecular Chemistry. The award, one of the most prestigious of small awards in chemistry, recognizes excellence in the developing field of macrocyclic and supramolecular chemistry Macrocyclic and Supramolecular Chemistry: How Izatt-Christensen Award Winners Shaped the Field features chapters written by the award recipients who provide unique perspectives on the spectacular growth in these expanding and vibrant fields of chemistry over the past half century, and on the role of these awardees in shaping this growth. During this time there has been an upsurge of interest in the design, synthesis and characterization of increasingly more complex macrocyclic ligands and in the application of this knowledge to understanding molecular recognition processes in host-guest chemistry in ways that were scarcely envisioned decades earlier. In October 2016, Professor Jean-Pierre Sauvage and Sir J. Fraser Stoddart (author for chapter 22 "Contractile and Extensile Molecular Systems: Towards Molecular Muscles" by Jean -Pierre Sauvage, Vincent Duplan, and Frédéric Niess and 20 "Serendipity" by Paul R. McGonigal and J. Fraser Stoddart respectively) were awarded the Nobel Prize in Chemistry alongside fellow Wiley author Bernard Feringa, for the design and synthesis of molecular machines.

Fragment-based Approaches in Drug Discovery

Fragment-based Approaches in Drug Discovery
Author: Wolfgang Jahnke
Publisher: John Wiley & Sons
Total Pages: 391
Release: 2006-12-13
Genre: Science
ISBN: 3527608605

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This first systematic summary of the impact of fragment-based approaches on the drug development process provides essential information that was previously unavailable. Adopting a practice-oriented approach, this represents a book by professionals for professionals, tailor-made for drug developers in the pharma and biotech sector who need to keep up-to-date on the latest technologies and strategies in pharmaceutical ligand design. The book is clearly divided into three sections on ligand design, spectroscopic techniques, and screening and drug discovery, backed by numerous case studies.

Combinatorial Chemistry and Technologies

Combinatorial Chemistry and Technologies
Author: Stanislav Miertus
Publisher: CRC Press
Total Pages: 597
Release: 2005-04-12
Genre: Medical
ISBN: 1420027840

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Several books on the market cover combinatorial techniques, but they offer just a limited perspective of the field, focusing on selected aspects without examining all approaches and integrated technologies. Combinatorial Chemistry and Technologies: Methods and Applications answers the demand for a complete overview of the field, covering all of the

Organic Synthesis and Molecular Engineering

Organic Synthesis and Molecular Engineering
Author: Mogens Brøndsted Nielsen
Publisher: John Wiley & Sons
Total Pages: 462
Release: 2013-10-18
Genre: Science
ISBN: 1118736486

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The theory, methods, and practices needed to build molecules and supramolecular systems Using a synthetic approach to organic materials chemistry, this book sets forth tested and proven methods and practices that make it possible to engineer organic molecules offering special properties and functions. Throughout the book, plenty of real-world examples demonstrate the countless possibilities of creating one-of-a-kind molecules and supramolecular systems to support a broad range of applications. The book explores applications in both materials and bioorganic chemistry, including molecular electronics, energy storage, sensors, nanomedicine, and enzyme engineering. Organic Synthesis and Molecular Engineering consists of fourteen chapters, each one contributed by one or more leading international experts in the field. The contributions are based on a thorough review and analysis of the current literature as well as the authors' firsthand experience in the lab engineering new organic molecules. Designed as a practical lab reference, the book offers: Tested and proven synthetic approaches to organic materials chemistry Methods and practices to successfully engineer functionality into organic molecules Explanations of the principles and concepts underlying self-assembly and supramolecular chemistry Guidance in selecting appropriate structural units used in the design and synthesis of functional molecules and materials Coverage of the full range of applications in materials and bioorganic chemistry A full chapter on graphene, a new topic generating intense research Organic Synthesis and Molecular Engineering begins with core concepts, molecular building blocks, and synthetic tools. Next, it explores molecular electronics, supramolecular chemistry and self-assembly, graphene, and photoresponsive materials engineering. In short, it offers everything researchers need to fully grasp the underlying theory and then build new molecules and supramolecular systems.