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Title:
Pharmacophores and Pharmacophore Searches |
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Division: General Biochemistry / John Wiley & Son / 英文版 |
Author/Editor: Prof. Dr. Thierry Langer, Dr. Rémy D. Hoffmann Star:  |
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ISBN: 3527312501 |
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Introduce Date: 2006年10月21日14:09 , Release Date: 2006年10月21日15:51 |
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Introducer: Reuben , Rate: 1/161 |
| Format: pdf(editorial) Download |
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| Appraiser: mjuchem | Grade: +5 | Reason: ( New book, thanks ) | | | Appraiser: choscar | Grade: +5 | Reason: ( So new! ) | |
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| Description: |
Pharmacophores and Pharmacophore Searches
Thierry Langer (Editor), Remy D. Hoffmann (Editor), Raimund Mannhold (Series Editor), Hugo Kubinyi (Series Editor), Gerd Folkers (Series Editor)
ISBN: 3-527-31250-1
Hardcover
396 pages
October 2006
Wiley List Price: US $175.00
Published Online: 14 Sep 2006
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.
Table Of Contents
Front Matter (p I-XX)
Summary | Full Text: PDF (Size: 117K)
Part I: Introduction
Chapter 1:
Pharmacophores: Historical Perspective and Viewpoint from a Medicinal Chemist (p 1-13)
Camille G. Wermuth
Summary | Full Text: PDF (Size: 111K)
Part II: Pharmacophore Approaches
Chapter 2:
Pharmacophore Model Generation Software Tools (p 15-47)
Konstantin Poptodorov, Tien Luu, Rémy D. Hoffmann
Summary | Full Text: PDF (Size: 215K)
Chapter 3:
Alignment-Free Pharmacophore Patterns - A Correlation-Vector Approach (p 49-79)
Steffen Renner, Uli Fechner, Gisbert Schneider
Summary | Full Text: PDF (Size: 506K)
Chapter 4:
Feature Trees: Theory and Applications from Large-scale Virtual Screening to Data Analysis (p 81-116)
Matthias Rarey, Sally Hindle, Patrick Maaß, Günther Metz, Christian Rummey, Marc Zimmermann
Summary | Full Text: PDF (Size: 672K)
Chapter 5:
Concept and Applications of Pseudoreceptors (p 117-130)
Klaus-Jürgen Schleifer
Summary | Full Text: PDF (Size: 351K)
Chapter 6:
Pharmacophores from Macromolecular Complexes with LigandScout (p 131-150)
Gerhard Wolber, Robert Kosara
Summary | Full Text: PDF (Size: 309K)
Chapter 7:
GRID-based Pharmacophore Models: Concept and Application Examples (p 151-170)
Francesco Ortuso, Stefano Alcaro, Thierry Langer
Summary | Full Text: PDF (Size: 423K)
Chapter 8:
Hot Spot Analysis of Protein-binding Sites as a Prerequisite for Structure-based Virtual Screening and Lead Optimization (p 171-192)
Ruth Brenk, Gerhard Klebe
Summary | Full Text: PDF (Size: 536K)
Chapter 9:
Application of Pharmacophore Fingerprints to Structure-Based Design and Data Mining (p 193-206)
Prabha Karnachi, Amit Kulkarni
Summary | Full Text: PDF (Size: 162K)
Chapter 10:
SIFt: Analysis, Organization and Database Mining for Protein-Inhibitor Complexes. Application to Protein Kinase Inhibitors (p 207-222)
Juswinder Singh, Zhan Deng, Claudio Chuaqui
Summary | Full Text: PDF (Size: 508K)
Chapter 11:
Application of Structure-Based Alignment Methods for 3D QSAR Analyses (p 223-249)
Wolfgang Sippl
Summary | Full Text: PDF (Size: 338K)
Part III: Pharmacophores for Hit Identification and Lead Profiling: Applications and Validation
Chapter 12:
Application of Pharmacophore Models in Medicinal Chemistry (p 251-282)
Fabrizio Manetti, Maurizio Botta, Andrea Tafi
Summary | Full Text: PDF (Size: 356K)
Chapter 13:
GPCR Anti-Target Modeling: Pharmacophore Models to Avoid GPCR-Mediated Side-Effects (p 283-297)
Thomas Klabunde
Summary | Full Text: PDF (Size: 341K)
Chapter 14:
Pharmacophores for Human ADME/Tox-Related Proteins (p 299-324)
Cheng Chang, Sean Ekins
Summary | Full Text: PDF (Size: 338K)
Chapter 15:
Are You Sure You Have a Good Model? (p 325-364)
Nicolas Triballeau, Hugues-Olivier Bertrand, Francine Acher
Summary | Full Text: PDF (Size: 599K)
Subject Index (p 365-375)
Summary | Full Text: PDF (Size: 75K)
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