Pharmacophores and Pharmacophore Searches
(Sprache: Englisch)
This handbook is the first to address the practical aspects of this novel method. It provides a complete overview of the field and progresses from general considerations to real life scenarios in drug discovery research.Starting with an introductory...
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Klappentext zu „Pharmacophores and Pharmacophore Searches “
This handbook is the first to address the practical aspects of this novel method. It provides a complete overview of the field and progresses from general considerations to real life scenarios in drug discovery research.Starting with an introductory historical overview, the authors move on to discuss ligand-based approaches, including 3D pharmacophores and 4D QSAR, as well as the concept and application of pseudoreceptors. The next section on structure-based approaches includes pharmcophores from ligand-protein complexes, FLIP and 3D protein-ligand binding interactions. The whole is rounded off with a complete section devoted to applications and examples, including modeling of ADME properties.With its critical evaluation of pharmacophore-based strategies, this book represents a valuable aid for project leaders and decision-makers in the pharmaceutical industry, as well as pharmacologists, and medicinal and chemists.
Inhaltsverzeichnis zu „Pharmacophores and Pharmacophore Searches “
INTRODUCTIONHistorical Overview
LIGAND-BASED APPROACHES
Pharmacophore Generation - Workflow and Methodology
Tools for Pharmacophore Generation
Virtual Screening and Library Design
3D Pharmacophores and 4D QSAR
Concept and Application of Pseudoreceptors
STRUCTURE-BASED APPROACHES
Pharmacophoric Properties of Functional Groups
Pharmcophores from Ligand-Protein Complexes
Combined Use od Pharmacophore Models and Docking
Fast Lead Identification Protocol (FLIP)
Three-dimensional Protein-Ligand Binding Interactions
APPLICATIONS AND EXAMPLES
Activity Profiling
Privileged Structures
Modeling of ADME Properties
Examples of Pharmacophore Usage in Drug Development
Autoren-Porträt
Thierry Langer (b. 1962) is heading the Computer Aided Molecular Design Group at the University of Innsbruck (Tyrol, Austria). After his pharmacy M.S. degree (1987) he obtained a Ph.D. degree in organic chemistry at the University of Vienna (Austria) in 1991. He then spent one year as a post-doc fellow at the Université Louis Pasteur (Strasbourg, France) with C. G. Wermuth. In 1992 he moved to the University of Innsbruck, where he established the molecular modeling group. Since 1997 he is associate professor for pharmaceutical chemistry.In addition to his academic appointments, he is also the founder and CEO of the Inteligand, a company specialized in providing computational services for the pharmaceutical industry.
Professor Langer's main research interests are focused on theoretical pharmaceutical chemistry, drug design, and pharmacophore modeling using molecular modeling techniques as well as QSAR and 3D-QSAR.
Bibliographische Angaben
- 2006, 320 Seiten, Maße: 24 cm, Gebunden, Englisch
- Herausgegeben: Thierry Langer, Remy D. Hoffmann, Raimund Mannhold
- Verlag: Wiley-VCH
- ISBN-10: 3527312501
- ISBN-13: 9783527312504
Sprache:
Englisch
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