Author: Joachim Karl SeydelPublisher: Wiley-VCH Verlag GmbH
ISBN:
Category : Medical
Languages : en
Pages : 468
Book Description
QSAR and Strategies in the Design of Bioactive Compounds
Author: Joachim Karl SeydelPublisher: Wiley-VCH Verlag GmbH
ISBN:
Category : Medical
Languages : en
Pages : 468
Book Description
QSAR and strategies in the design of bioactive compounds
Author: QSAR and Strategies in the Design of Bioactive Compounds , Proceedings of the Fifth European Symposium on Quantitative Structure-Activity Relationships, Bad Segeberg, Germany, September 17 - 21 1984
Author: Seydel JK EdQSAR, Rational Approaches to the Design of Bioactive Compounds
Author: C. SilipoPublisher: Elsevier Publishing Company
ISBN:
Category : Medical
Languages : en
Pages : 604
Book Description
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.
Structure-based Design of Drugs and Other Bioactive Molecules
Author: Arun K. GhoshPublisher: John Wiley & Sons
ISBN: 3527333657
Category : Medical
Languages : en
Pages : 474
Book Description
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.
Designing Bioactive Molecules
Author: Yvonne Connolly MartinPublisher:
ISBN:
Category : Biomolecules
Languages : en
Pages : 308
Book Description
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.
Drug Design Strategies
Author: Lee BantingPublisher: Royal Society of Chemistry
ISBN: 1849731675
Category : Medical
Languages : en
Pages : 251
Book Description
This book, aimed at academics, industrialists and post-graduates, documents the latest research into computer aided drug design.
QSAR
Author: C. SilipoPublisher:
ISBN: 9780444888396
Category :
Languages : en
Pages : 575
Book Description
3D QSAR in Drug Design
Author: Hugo KubinyiPublisher: Springer Science & Business Media
ISBN: 9789072199140
Category : Medical
Languages : en
Pages : 796
Book Description
Progress in medicinal chemistry and in drug design depends on our ability to understand the interactions of drugs with their biological targets. Classical QSAR studies describe biological activity in terms of physicochemical properties of substituents in certain positions of the drug molecules. The purpose of this book is twofold: On the one hand, both the novice and the experienced user will be introduced to the theory and application of 3D QSAR analyses, and on the other, a comprehensive overview of the scope and limitations of these methods is given. The detailed discussion of the present state of the art should enable scientists to further develop and improve these powerful new tools. The greater part of the book is dedicated to the theoretical background of 3D QSAR and to a discussion of CoMFA applications. In addition, various other 3D QSAR approaches and some CoMFA-related methods are described in detail. Thus, the book should be valuable for medicinal, agricultural and theoretical chemists, biochemists and biologists, as well as for other scientists interested in drug design. Its content, starting at a very elementary level and proceeding to the latest methodological results, the strengths and limitations of 3D QSAR approaches, makes the book also appropriate as a text for teaching and for graduate student courses.
Strategy of Drug Design
Author: William P. PurcellPublisher: John Wiley & Sons
ISBN:
Category : Medical
Languages : en
Pages : 216
Book Description