Pharmacophores and Pharmacophore Searches
Thierry Langer · Rémy D. Hoffmann · Raimund Mannhold · Hugo Kubinyi · Gerd Folkers
dic 2006 · John Wiley & Sons
eBook
395
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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.
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.
Acerca del autor
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 Universiteacute; 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.
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.
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