KNOBLE: A Knowledge-Based Approach for the Design and Synthesis of Readily Accessible Small-Molecule Chemical Probes To Test Protein Binding

Divide and combine: KNOwledge Based Ligand Enumeration (KNOBLE) is a strategy for the design and synthesis of focused combinatorial libraries. This approach is based on the assembly of potential leads from fragments that are detected by the Cavbase subcavity matching algorithm comparing data from kn...

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Published inAngewandte Chemie (International ed.) Vol. 46; no. 47; pp. 9105 - 9109
Main Authors Gerlach, Christof, Münzel, Martin, Baum, Bernhard, Gerber, Hans-Dieter, Craan, Tobias, Diederich, Wibke E, Klebe, Gerhard
Format Journal Article
LanguageEnglish
Published Weinheim Wiley-VCH Verlag 01.01.2007
WILEY-VCH Verlag
WILEY‐VCH Verlag
Wiley
Subjects
Chemistry
Chemistry, Multidisciplinary
combinatorial chemistry
Combinatorial Chemistry Techniques
Drug Design
ligand design
Molecular Probes
Physical Sciences
Protein Binding
Science & Technology
thrombin
thrombin
COMBINATORIAL LIBRARY
drug design
SEARCH
DOCKING
ALGORITHM
DISCOVERY
AFFINITY
ligand design
CHEMISTRY
OPTIMIZATION
combinatorial chemistry
INHIBITORS
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Summary:Divide and combine: KNOwledge Based Ligand Enumeration (KNOBLE) is a strategy for the design and synthesis of focused combinatorial libraries. This approach is based on the assembly of potential leads from fragments that are detected by the Cavbase subcavity matching algorithm comparing data from known crystal structures.
Bibliography:http://dx.doi.org/10.1002/anie.200703323
istex:615746AA57FCC0E71D4F5B7BD3E76298AD510F84
ArticleID:ANIE200703323
DPhG
DFG
The DFG-Graduiertenkolleg "Proteinfunktion auf atomarer Ebene" (C.G.) and the DPhG "Stiftung zur Förderung des wissenschaftlichen Nachwuchses" (W.E.D.) are gratefully acknowledged for their financial support.
ark:/67375/WNG-MH1XKJ2G-3
The DFG‐Graduiertenkolleg “Proteinfunktion auf atomarer Ebene” (C.G.) and the DPhG “Stiftung zur Förderung des wissenschaftlichen Nachwuchses” (W.E.D.) are gratefully acknowledged for their financial support.
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SourceType-Scholarly Journals-1
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ISSN:1433-7851
1521-3773
DOI:10.1002/anie.200703323