E-Book, Englisch, Band 32, 375 Seiten, E-Book
E-Book, Englisch, Band 32, 375 Seiten, E-Book
Reihe: Methods and Principles in Medicinal Chemistry
ISBN: 978-3-527-60872-0
Verlag: Wiley-VCH
Format: PDF
Kopierschutz: Adobe DRM (»Systemvoraussetzungen)
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.
Weitere Infos & Material
INTRODUCTION
Historical Overview
LIGAND-BASED APPROACHES
Pharmacophore Model Generation Software Tools
Alignment-free Pharmacophore Patterns
Theory and Applications from Large-scale Virtual Screening to Data Analysis
Concept and Application of Pseudoreceptors
Pharmacophores from Macromolecular Complexes with LigandScout
GRID-based Pharmacophore Models
"Hot Spot" Analysis of Protein-binding Sites as a Prerequisite for Structure-based Virtual Screening and Lead Optimization
Application of Pharmacophore Fingerprints to Structure-based Design and Data Mining
SIFt: analysis, Organization and Database Mining for Protein-Inhibitor Complexes
Application of Structure-based Alignment Methods for 3D QSAR Analyses
PHARMACOPHORES FOR HIT IDENTIFCATION AND LEAD PROFILING: APPLICATIONS AND VALIDATION
Application of Pharmacophore Models in Clinical Chemistry
GPCR Anti-target Modeling: Pharmacophore Models to Avoid GPCR-mediated Side-effects
Pharmacophores for Human ADME/Tox-related Proteins
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