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Glycan fingerprints: Calculating diversity in glycan libraries

Academic Article
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Overview

authors

  • Rademacher, C.
  • Paulson, James

publication date

  • May 2012

journal

  • ACS Chemical Biology  Journal

abstract

  • Carbohydrate libraries printed in glycan micorarray format have had a great impact on the high-throughput analysis of the specificity of a wide range of mammalian, plant, and bacterial lectins. Chemical and chemo-enzymatic synthesis allows the construction of diverse glycan libraries but requires substantial effort and resources. To leverage the synthetic effort, the ideal library would be a minimal subset of all structures that provides optimal diversity. Therefore, a measure of library diversity is needed. To this end, we developed a linear representation of glycans using standard chemoinformatic tools. This representation was applied to measure pairwise similarity and consequently diversity of glycan libraries in a single value. The diversities of four existing sialoside glycan arrays were compared. More diverse arrays are proposed reducing the number of glycans. This algorithm can be applied to diverse aspects of library design from target structure selection to the choice of building blocks for their synthesis.

subject areas

  • Algorithms
  • Glycomics
  • Polysaccharides
  • Small Molecule Libraries
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Identity

PubMed Central ID

  • PMC3356451

International Standard Serial Number (ISSN)

  • 1554-8929

Digital Object Identifier (DOI)

  • 10.1021/cb300003z

PubMed ID

  • 22373368
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Additional Document Info

start page

  • 829

end page

  • 834

volume

  • 7

issue

  • 5

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