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Issue 1, 2005
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Design of compound libraries based on natural product scaffolds and protein structure similarity clustering (PSSC)

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Abstract

Recent advances in structural biology, bioinformatics and combinatorial chemistry have significantly impacted the discovery of small molecules that modulate protein functions. Natural products which have evolved to bind to proteins may serve as biologically validated starting points for the design of focused libraries that might provide protein ligands with enhanced quality and probability. The combined application of natural product derived scaffolds with a new approach that clusters proteins according to structural similarity of their ligand sensing cores provides a new principle for the design and synthesis of such libraries. This article discusses recent advances in the synthesis of natural product inspired compound collections and the application of protein structure similarity clustering for the development of such libraries.

Graphical abstract: Design of compound libraries based on natural product scaffolds and protein structure similarity clustering (PSSC)

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Publication details

The article was received on 10 Mar 2005, accepted on 06 Apr 2005 and first published on 19 Apr 2005


Article type: Review Article
DOI: 10.1039/B503623B
Citation: Mol. BioSyst., 2005,1, 36-45
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    Design of compound libraries based on natural product scaffolds and protein structure similarity clustering (PSSC)

    R. Balamurugan, F. J. Dekker and H. Waldmann, Mol. BioSyst., 2005, 1, 36
    DOI: 10.1039/B503623B

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