Download or read book Designing Bioactive Molecules written by Yvonne Connolly Martin and published by . This book was released on 1998 with total page 308 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Structure based Design of Drugs and Other Bioactive Molecules written by Arun K. Ghosh and published by John Wiley & Sons. This book was released on 2014-08-11 with total page 474 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Molecular Design written by Gisbert Schneider and published by John Wiley & Sons. This book was released on 2008-02-26 with total page 284 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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).
Download or read book Development and Application of Computational Methods for the Design of Bioactive Molecules written by Pablo Englebienne and published by . This book was released on 2009 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book QSAR Molecular Modelling in Rational Design of Bioactive Molecules written by and published by . This book was released on 2004 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Design and Syntheses of Peptidomimetic Building Blocks and Bioactive Molecules written by Haitao Li and published by . This book was released on 1998 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Methods in the Design of Bioactive Compounds written by H. P. Weber and published by . This book was released on 1994 with total page 82 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Design of Hybrid Molecules for Drug Development written by Michael Decker and published by Elsevier. This book was released on 2017-04-05 with total page 354 pages. Available in PDF, EPUB and Kindle. Book excerpt: Design of Hybrid Molecules for Drug Development reviews the principles, advantages, and limitations involved with designing these groundbreaking compounds. Beginning with an introduction to hybrid molecule design and background as to their need, the book goes on to explore a range of important hybrids, with hybrids containing natural products, molecules containing NO- and H2S-donors, dual-acting compounds acting as receptor ligands and enzyme inhibitors, and the design of photoresponsive drugs all discussed. Drawing on practical case studies, the hybridization of molecules for development as treatments for a number of key diseases is then outlined, including the design of hybrids for Alzheimer's, cancer, and malaria. With its cutting-edge reviews of breaking developments in this exciting field, the book offers a novel approach for all those working in the design, development, and administration of drugs for a range of debilitating disorders. - Highlights an approach unimpaired by the limitations of the classical search for lead structures - one of the core problems in modern drug development processes, making the content of high relevance for both academic and non-academic drug development processes - Pulls together research and design techniques in a novel way to give researchers the best possible platform from which to review the approaches and techniques applied - Compares the advantages and disadvantages of these compounds - Includes the very latest developments, such as photoactivatable and photo-responsive drugs
Download or read book Special Issue New Concepts and Methods in Designing Bioactive Compounds written by Péter Mátyus and published by . This book was released on 2000 with total page 129 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Bioactive Compound Design written by Martyn Glenn Ford and published by . This book was released on 1996 with total page 214 pages. Available in PDF, EPUB and Kindle. Book excerpt: Although many valuable products have resulted from this approach, recent developments in information technology, mathematical algorithms and robotics appear to offer alternative approaches which may eventually prove to be more cost-effective. This book describes the impact that these new design procedures are having on the discovery process.
Download or read book Virtual Screening for Bioactive Molecules written by Hans-Joachim Böhm and published by John Wiley & Sons. This book was released on 2008-11-21 with total page 325 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Bioactive Materials in Medicine written by X. Zhao and published by Elsevier. This book was released on 2011-05-25 with total page 286 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Download or read book Methods in the Design of Bioactive Compounds written by and published by . This book was released on 1994 with total page 82 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Drug Design written by BAREHAM BAREHAM J and published by Academic Press. This book was released on 2014-11-26 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book De novo Molecular Design written by Gisbert Schneider and published by John Wiley & Sons. This book was released on 2013-10-10 with total page 540 pages. Available in PDF, EPUB and Kindle. Book excerpt: Systematically examining current methods and strategies, this ready reference covers a wide range of molecular structures, from organic-chemical drugs to peptides, Proteins and nucleic acids, in line with emerging new drug classes derived from biomacromolecules. A leader in the field and one of the pioneers of this young discipline has assembled here the most prominent experts from across the world to provide first-hand knowledge. While most of their methods and examples come from the area of pharmaceutical discovery and development, the approaches are equally applicable for chemical probes and diagnostics, pesticides, and any other molecule designed to interact with a biological system. Numerous images and screenshots illustrate the many examples and method descriptions. With its broad and balanced coverage, this will be the firststop resource not only for medicinal chemists, biochemists and biotechnologists, but equally for bioinformaticians and molecular designers for many years to come. From the content: * Reaction-driven de novo design * Adaptive methods in molecular design * Design of ligands against multitarget profiles * Free energy methods in ligand design * Fragment-based de novo design * Automated design of focused and target family-oriented compound libraries * Molecular de novo design by nature-inspired computing * 3D QSAR approaches to de novo drug design * Bioisosteres in de novo design * De novo design of peptides, proteins and nucleic acid structures, including RNA aptamers and many more.
Download or read book Cutting Edge Organic Synthesis and Chemical Biology of Bioactive Molecules written by Yuichi Kobayashi and published by Springer. This book was released on 2019-05-30 with total page 355 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Design and Synthesis of Bioactive Small Molecules and High throughput Identification of Enantiomeric Excess written by Mehmet B. Onaran and published by . This book was released on 2008 with total page 466 pages. Available in PDF, EPUB and Kindle. Book excerpt: Tetrahydroisoquinolines (THIQs) substituted at the C-1 position constitute the framework of many bioactive compounds. We have developed chiral ligands that promote the enantioselective addition of arylzinc reagents to 3,4-dihydroisoquinoline N-oxide to yield chiral 1-aryl-THIQs. Our optimized conditions generated up to 99% enantiomeric excess and 99% isolated yield.
