Structure Based Design Of Combinatorial Libraries

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Combinatorial Library

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Author : Lisa B. English
language : en
Publisher: Springer Science & Business Media
Release Date : 2008-02-04

Combinatorial Library written by Lisa B. English and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-02-04 with Science categories.

The continued successes of large- and small-scale genome sequencing projects are increasing the number of genomic targets available for drug d- covery at an exponential rate. In addition, a better understanding of molecular mechanisms—such as apoptosis, signal transduction, telomere control of ch- mosomes, cytoskeletal development, modulation of stress-related proteins, and cell surface display of antigens by the major histocompatibility complex m- ecules—has improved the probability of identifying the most promising genomic targets to counteract disease. As a result, developing and optimizing lead candidates for these targets and rapidly moving them into clinical trials is now a critical juncture in pharmaceutical research. Recent advances in com- natorial library synthesis, purification, and analysis techniques are not only increasing the numbers of compounds that can be tested against each specific genomic target, but are also speeding and improving the overall processes of lead discovery and optimization. There are two main approaches to combinatorial library production: p- allel chemical synthesis and split-and-mix chemical synthesis. These approaches can utilize solid- or solution-based synthetic methods, alone or in combination, although the majority of combinatorial library synthesis is still done on solid support. In a parallel synthesis, all the products are assembled separately in their own reaction vessels or microtiter plates. The array of rows and columns enables researchers to organize the building blocks to be c- bined, and provides an easy way to identify compounds in a particular well.

Chemoinformatics

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Author : Jürgen Bajorath
language : en
Publisher: Springer Science & Business Media
Release Date : 2008-02-04

Chemoinformatics written by Jürgen Bajorath and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-02-04 with Medical categories.

In the literature, several terms are used synonymously to name the topic of this book: chem-, chemi-, or chemo-informatics. A widely recognized de- nition of this discipline is the one by Frank Brown from 1998 (1) who defined chemoinformatics as the combination of “all the information resources that a scientist needs to optimize the properties of a ligand to become a drug. ” In Brown’s definition, two aspects play a fundamentally important role: de- sion support by computational means and drug discovery, which distinguishes it from the term “chemical informatics” that was introduced at least ten years earlier and described as the application of information technology to ch- istry (not with a specific focus on drug discovery). In addition, there is of course “chemometrics,” which is generally understood as the application of statistical methods to chemical data and the derivation of relevant statistical models and descriptors (2). The pharmaceutical focus of many developments and efforts in this area—and the current popularity of gene-to-drug or si- lar paradigms—is further reflected by the recent introduction of such terms as “discovery informatics” (3), which takes into account that gaining kno- edge from chemical data alone is not sufficient to be ultimately successful in drug discovery. Such insights are well in accord with other views that the boundaries between bio- and chemoinformatics are fluid and that these d- ciplines should be closely combined or merged to significantly impact b- technology or pharmaceutical research (4).

Molecular Pathomechanisms And New Trends In Drug Research

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Author : Gyorgy Keri
language : en
Publisher: CRC Press
Release Date : 2002-11-14

Molecular Pathomechanisms And New Trends In Drug Research written by Gyorgy Keri and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2002-11-14 with Medical categories.

Knowledge of the basic mechanisms of human disease is essential for any student or professional engaged in drug research and development. Functional gene analysis (genomics), protein analysis (proteomics), and other molecular biological techniques have made it possible to understand these cellular processes, opening up exciting opportunities for no

Development And Application Of Tools For Structure Based Library Design

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Author : Keith W. Burdick
language : en
Publisher:
Release Date : 2001

Development And Application Of Tools For Structure Based Library Design written by Keith W. Burdick and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2001 with categories.

Progress And Challenges In Computational Structure Based Design And Development Of Biologic Drugs

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Author : Traian Sulea
language : en
Publisher: Frontiers Media SA
Release Date : 2024-03-25

Progress And Challenges In Computational Structure Based Design And Development Of Biologic Drugs written by Traian Sulea and has been published by Frontiers Media SA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-03-25 with Science categories.

Molecular Diversity In Drug Design

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Author : P.M. Dean
language : en
Publisher: Springer Science & Business Media
Release Date : 2007-05-08

Molecular Diversity In Drug Design written by P.M. Dean and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-05-08 with Science categories.

High-throughput screening and combinatorial chemistry are two of the most potent weapons ever to have been used in the discovery of new drugs. At a stroke, it seems to be possible to synthesise more molecules in a month than have previously been made in the whole of the distinguished history of organic chemistry, Furthermore, all the molecules can be screened in the same short period. However, like any weapons of immense power, these techniques must be used with care, to achieve maximum impact. The costs of implementing and running high-throughput screening and combinatorial chemistry are high, as large dedicated facilities must be built and staffed. In addition, the sheer number of chemical leads generated may overwhelm the lead optimisation teams in a hail of friendly fire. Mother nature has not entirely surrendered, as the number of building blocks that could be used to build libraries would require more atoms than there are in the universe. In addition, the progress made by the Human Genome Project has uncovered many proteins with different functions but related binding sites, creating issues of selectivity. Advances in the new field of pharmacogenomics will produce more of these challenges. There is a real need to make hi- throughput screening and combinatorial chemistry into 'smart' weapons, so that their power is not dissipated. That is the challenge for modellers, computational chemists, cheminformaticians and IT experts. In this book, we have broken down this grand challenge into key tasks.

Xivth International Symposium On Medicinal Chemistry

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Author : F. Awouters
language : en
Publisher: Elsevier
Release Date : 1997-09-12

Xivth International Symposium On Medicinal Chemistry written by F. Awouters and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 1997-09-12 with Medical categories.

Vaso-occlusive disorders including unstable angina, myocardial infarction, transient ischemic attacks, stroke and peripheral artery disease remain the major sources of morbidity and mortality in western civilization. Platelet activation and resulting platelet aggregation play a major role in the pathogenesis of these thromboembolic diseases. Recognition of the contribution of platelets to the pathophysiology of cardiovascular disease has provided impetus for the continued search for new antiplatelet agents. Hence, over the past two decades many strategies have been evaluated in the search for efficacious mechanisms to reduce platelet function. The medical need for more efficacious antithrombotic drugs and the growing understanding of the role of platelets in vascular injury have catalyzed the extensive evaluation of novel approaches to control platelet function. Along these lines, the volume therefore provides an in-depth assessment of ongoing clinical trials, new and clinically established agents, and other developments in this rapidly developing field.

Combinatorial Chemistry

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Author : Stephen R. Wilson
language : en
Publisher: John Wiley & Sons
Release Date : 1997-03-28

Combinatorial Chemistry written by Stephen R. Wilson and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 1997-03-28 with Medical categories.

The new time-saving revolution in drug discovery. Combinatorial chemistry, a method for synthesizing millions of chemical compounds much faster than usual, is becoming one of the most useful technical tools available to chemists and researchers working today. Using current advances in computer and laboratory techniques, combinatorial chemistry has freed professionals from the drudgery of piecemeal experimental work and opened new creative possibilities for experimentation. Combinatorial Chemistry: Synthesis and Application details critical aspects of the technique, featuring the work of some of the world's leading chemists, many of whom played a key role in its development. Including examples of both solution-phase and solid-phase approaches as well as the full complement of organic chemistry technologies currently available, the book describes: * Concepts and terms of combinatorial chemistry * Polymer-supported synthesis of organic compounds * Macro beads as microreactors * Solid-phase methods in combinatorial chemistry * Encoded combinatorial libraries, including Rf-encoding of synthesis beads * Strategies for combinatorial libraries of oligosaccharides * Combinatorial libraries of peptides, proteins, and antibodies using biological systems. While combinatorial chemistry originated in peptide chemistry, this volume has deliberately focused on nonpeptide organic applications, illustrating the technique's wide uses. Combinatorial Chemistry introduces organic, medicinal, and pharmaceutical chemists as well as biochemists to this exciting, cost-effective, and practical technique, which has unlocked creative potential for the next millennium.

Chemoinformatics In Drug Discovery

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Author : Tudor I. Oprea
language : en
Publisher: John Wiley & Sons
Release Date : 2006-03-06

Chemoinformatics In Drug Discovery written by Tudor I. Oprea and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-03-06 with Science categories.

This handbook provides the first-ever inside view of today's integrated approach to rational drug design. Chemoinformatics experts from large pharmaceutical companies, as well as from chemoinformatics service providers and from academia demonstrate what can be achieved today by harnessing the power of computational methods for the drug discovery process. With the user rather than the developer of chemoinformatics software in mind, this book describes the successful application of computational tools to real-life problems and presents solution strategies to commonly encountered problems. It shows how almost every step of the drug discovery pipeline can be optimized and accelerated by using chemoinformatics tools -- from the management of compound databases to targeted combinatorial synthesis, virtual screening and efficient hit-to-lead transition. An invaluable resource for drug developers and medicinal chemists in academia and industry.

Structure Activity Relationship Studies In Drug Development By Nmr Spectroscopy

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Author : Atta-ur- Rahman
language : en
Publisher: Bentham Science Publishers
Release Date : 2011

Structure Activity Relationship Studies In Drug Development By Nmr Spectroscopy written by Atta-ur- Rahman and has been published by Bentham Science Publishers this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011 with Science categories.

"NMR (Nuclear Magnetic Resonance) Spectroscopy has found significant applications in drug discovery based on its capacity to map molecular interactions at the atomic level. Chemical shifts, cross relaxation, and exchange of protons are among the NMR parame"