Designing Bioactive Molecules
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Designing Bioactive Molecules
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Author : Yvonne Connolly Martin
language : en
Publisher:
Release Date : 1998
Designing Bioactive Molecules written by Yvonne Connolly Martin and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1998 with Biomolecules categories.
Three-dimensional structural information often provides the key to dis covering or designing bioactive molecules and compounds. This volume c overs the principal computational techniques for processing three-dime nsional structures of small molecules and compounds. It describes data base construction and searching, analysis of structure-activity relati onships by pharmacophore mapping and QSAR, prediction of biological po tency of small molecules and compounds by QSAR and by docking to macro molecular targets. The book also includes a chapter on de novo design of ligands to fit a macromolecular target.
Structure Based Design Of Drugs And Other Bioactive Molecules
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Author : Arun K. Ghosh
language : en
Publisher: John Wiley & Sons
Release Date : 2014-07-16
Structure Based Design Of Drugs And Other Bioactive Molecules written by Arun K. Ghosh 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 2014-07-16 with Medical categories.
Drug design is a complex, challenging and innovative research area. Structure-based molecular design has transformed the drug discovery approach in modern medicine. Traditionally, focus has been placed on computational, structural or synthetic methods only in isolation. This one-of-akind guide integrates all three skill sets for a complete picture of contemporary structure-based design. This practical approach provides the tools to develop a high-affinity ligand with drug-like properties for a given drug target for which a high-resolution structure exists. The authors use numerous examples of recently developed drugs to present "best practice" methods in structurebased drug design with both newcomers and practicing researchers in mind. By way of a carefully balanced mix of theoretical background and case studies from medicinal chemistry applications, readers will quickly and efficiently master the basic skills of successful drug design. This book is aimed at new and active medicinal chemists, biochemists, pharmacologists, natural product chemists and those working in drug discovery in the pharmaceutical industry. It is highly recommended as a desk reference to guide students in medicinal and chemical sciences as well as to aid researchers engaged in drug design today.
Molecular Design
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Author : Gisbert Schneider
language : en
Publisher: John Wiley & Sons
Release Date : 2008-02-26
Molecular Design written by Gisbert Schneider 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 2008-02-26 with Science categories.
Kleine Moleküle für Einsteiger: Dieser für Lehre und Selbststudium gleichermaßen geeignete Band behandelt den computergestützten Entwurf von Wirkstoffen, Enzyminhibitoren, Sonden und Markern für Biomoleküle und führt den Leser bis zum ersten eigenen De-Novo-Design eines funktionellen Moleküls. Gestützt auf lange Erfahrung im Molecular-Modeling-Umfeld erläutern die Autoren, welche Fragen mit den beschriebenen Methoden beantwortet werden können (und welche nicht).
Bioactive Materials In Medicine
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Author : X. Zhao
language : en
Publisher: Elsevier
Release Date : 2011-05-25
Bioactive Materials In Medicine written by X. Zhao and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-05-25 with Technology & Engineering categories.
Bioactive materials play an increasingly important role in the biomaterials industry, and are used for a range of applications, including artificial organs, drug delivery systems, nanomedicine, and biosensors. Bioactive materials in medicine reviews the current status and ongoing development of bioactive materials for medical applications.Following an introduction to bioactive materials in medicine, part one covers the process of designing bioactive materials, including chapters on molecular design, nanotechnology, and tissue engineering. Part two focuses on the different applications of bioactive materials in medicine, with chapters discussing applications in orthopaedics, in the circulatory system,and as antibacterials. The final chapters focus on the uses of these materials in gene therapy, plastic surgery and body reconstruction, and in drug delivery systems.With its distinguished editors and international team of contributors, Bioactive materials in medicine is an essential reference for researchers and designers in industry, as well as those with an academic interest in the subject. Discusses the current status and ongoing development of bioactive materials for medical applications Explores the process of designing bioactive materials, including molecular design, nanotechnology, and tissue engineering Assesses different applications of bioactive materials in medicine featuring applications in orthopaedics, in the circulatory system,and as antibacterials
Qsar Rational Approaches To The Design Of Bioactive Compounds
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Author : C. Silipo
language : en
Publisher: Elsevier Publishing Company
Release Date : 1991
Qsar Rational Approaches To The Design Of Bioactive Compounds written by C. Silipo and has been published by Elsevier Publishing Company this book supported file pdf, txt, epub, kindle and other format this book has been release on 1991 with Medical categories.
Quantitative structure-activity relationships constitute a subject which has seen enormous growth in the past decade. Techniques which have been developed and used widely outside of medicinal chemistry are now used by those working with QSAR. These techniques employ powerful computers, molecular graphics systems and sophisticated software. Although QSAR techniques have been developed to optimize activities of known sets of analogs, recent methodologies suggest that these techniques can be useful in the modeling of new chemical entities. The contributions in this state-of-the-art volume cover a wide range of disciplines, tools and ideas which will be of interest to medicinal chemists, pharmacologists and biologists. The book gives an update of progress in the science of the quantitative approaches of the interface between chemistry, physical chemistry and biology-pharmacology. The use of molecular graphics, computational and conformational methods in drug research is extensively covered.
Virtual Screening For Bioactive Molecules
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Author : Hans-Joachim Böhm
language : en
Publisher: John Wiley & Sons
Release Date : 2008-11-21
Virtual Screening For Bioactive Molecules written by Hans-Joachim Böhm 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 2008-11-21 with Science categories.
Recent progress in high-throughput screening, combinatorial chemistry and molecular biology has radically changed the approach to drug discovery in the pharmaceutical industry. New challenges in synthesis result in new analytical methods. At present, typically 100,000 to one million molecules have to be tested within a short period and, therefore, highly effective screening methods are necessary for today's researchers - preparing and characterizing one compound after another belongs to the past. Intelligent, computer-based search agents are needed and "virtual screening" provides solutions to many problems. Such screening comprises innovative computational techniques designed to turn raw data into valuable chemical information and to assist in extracting the relevant molecular features. This handbook is unique in bringing together the various efforts in the field of virtual screening to provide the necessary methodological framework for more effective research. Leading experts give a thorough introduction to the state of the art along with a critical assessment of both successful applications and drawbacks. The information collated here will be indispensable for experienced scientists, as well as novices, working in medicinal chemistry and related disciplines.
Drug Design
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Author : BAREHAM BAREHAM J
language : en
Publisher: Academic Press
Release Date : 2014-11-26
Drug Design written by BAREHAM BAREHAM J and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-11-26 with Medical categories.
Drug Design, Volume IX examines various aspects of drug design and covers topics ranging from the consequences of the Hansch paradigm for the pharmaceutical industry to the Masca model of pharmacochemistry. A physicochemical basis for the design of orally active prodrugs is also considered, along with the use of interactive graphics in medicinal chemistry. Comprised of seven chapters, this volume begins with a discussion on efforts to avoid toxicity, not only of drugs, pesticides, and food additives but also of chemicals in general. The reader is then introduced to various aspects of the development of bioactive agents, including the optimization of existing agents by the design of more efficient prodrugs. Other chapters focus on Hansch's paradigm and its application to industrial practice; the application of multivariate statistics to pharmacochemistry; a logico-structural approach to computer-assisted drug design; and spatial arrangements in bioactive molecules. This book will be of interest to pharmacologists, chemists, and those involved in drug design.
Drug Discovery And Design
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Author : John Matsoukas
language : en
Publisher: IOS Press
Release Date : 2002
Drug Discovery And Design written by John Matsoukas and has been published by IOS Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2002 with Medical categories.
This work covers review articles and research articles related to the "Bioactive Drugs in Drug Discovery Design". It covers the synthesis and properties of bioactive molecules and enzymes, the role of membranes in drug activity and formulation.
Qsar And Strategies In The Design Of Bioactive Compounds
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Author : Joachim Karl Seydel
language : en
Publisher: Wiley-VCH Verlag GmbH
Release Date : 1985
Qsar And Strategies In The Design Of Bioactive Compounds written by Joachim Karl Seydel and has been published by Wiley-VCH Verlag GmbH this book supported file pdf, txt, epub, kindle and other format this book has been release on 1985 with Agricultural chemistry categories.
Cutting Edge Organic Synthesis And Chemical Biology Of Bioactive Molecules
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Author : Yuichi Kobayashi
language : en
Publisher: Springer
Release Date : 2019-05-30
Cutting Edge Organic Synthesis And Chemical Biology Of Bioactive Molecules written by Yuichi Kobayashi and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-05-30 with Science categories.
This book describes cutting-edge organic syntheses of biologically active compounds, isolation of pharmaceutically promising compounds from microorganisms, drug design, and progress on chemical biology. Synthetic strategy and tactics are summarized for super-carbon chain compounds, antitumor polycycles, aryl C-glycoside, antimycins, duocarmycins, cannabinoids, and other compounds. Special chapters are devoted to synthesis and biochemistry of fatty acid metabolites, which play a central role in the initiation and resolution of inflammation. The book provides a quick survey of trending topics in organic synthesis and chemical tools for biological investigation, and furnishes ideas for future research in organic synthesis. In addition, the contents can easily be understood by young chemists, graduate students, and those who are looking for new research based on organic chemistry.