Screen LibraryPharmacophores 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 discu...
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| Group Author: | ; |
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| Literature type: | Electronic eBook |
| Language: | English |
| Series: |
Methods and principles in medicinal chemistry ;
32 |
| Subjects: | |
| Online Access: |
http://onlinelibrary.wiley.com/book/10.1002/3527609164 |
| Summary: |
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 o. |
| Carrier Form: | 1 online resource (xx, 375 pages) : illustrations (some color). |
| Bibliography: | Includes bibliographical references and index. |
| ISBN: |
3527609164 9783527609161 9783527608720 3527608729 |
| Index Number: | RM301 |
| CLC: | R91 |
| Contents: | Pharmacophores : historical perspective and viewpoint from a medicinal chemist / Camille G. Wermuth -- Pharmacophore model generation software tools / Konstantin Poptodorov, Tien Luu, Rémy D. Hoffmann -- Alignment-free pharmacophore patterns, a correlation-vector approach / Steffen Renner, Uli Fechner, Gisbert Schneider -- Feature trees : theory and applications from large-scale virtual screening to data analysis / Matthias Rarey, Sally Hindle, Patrick Maass, Günther Metz, Christian Rummey, Marc Zimmermann -- Concept and applications of pseudoreceptors / Klaus-Jürgen Schleifer -- Pharmacophores from macromolecular complexes with LigandScout / Gerhard Wolber, Robert Kosara -- Grid-based pharmacophore models : concept and application examples / Francesco Ortuso, Stefano Alcaro, Thierry Langer -- Hot spot analysis of protein-binding sites as a prerequisite for structure-based virtual screening and lead optimization / Ruth Brenk, Gerhard Klebe -- Application of pharmacophore fingerprints to structure-based design and data mining / Prabha Karnachi, Amit Kulkarni -- SIFt : analysis, organization and database mining for protein-inhibitor complexes. Application to protein kinase inhibitors / Juswinder Singh, Zhan Deng, Claudio Chuaqui -- Application of structure-based alignment methods for 3D QSAR analyses / Wolfgang Sippl -- Application of pharmacophore models in medicinal chemistry / Fabrizio Manetti, Maurizio Botta, Andrea Tafi -- GPCR anti-target modeling : pharmacophore models to avoid GPCR-mediated side-effects / Thomas Klabunde -- Pharmacophores for human ADME/Tox-related proteins / Cheng Chang, Sean Ekins -- Are you sure you have a good model? / Nicolas Triballeau, Hugues-Olivier Bertrand, Francine Acher. |