Abstract
Glycomics researchers have identified the need for integrated database systems for collecting glycomics information in a consistent format. The goal is to create a resource for knowledge discovery and dissemination to wider research communities. This has the potential to extend the research community to include biologists, clinicians, chemists, and computer scientists. This chapter discusses the technology and approach needed to create integrated data resources to empower the broader community to leverage extant glycomics data. The focus is on glycosaminoglycan (GAGs) and proteoglycan research, but the approach can be generalized. The methods described span the development of glycomics standards from CarbBank to Glyco Connection Tables. The existence of integrated data sets provides a foundation for novel methods of analysis such as machine learning for knowledge discovery. The implications of predictive analysis are examined in relation to disease biomarker to expand the target audience of GAG and proteoglycan research.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
References
Editorial (2005) Sweet collaborations. Nat Methods 2:799
National Research Council (US) Committee on Assessing the Importance and Impact of Glycomics and Glycosciences (2012) Transforming glycoscience: a roadmap for the future. National Academies Press, Washington, DC
Raman R, Venkataraman M, Ramakrishnan S, Lang W, Raguram S, Sasisekharan R (2006) Advancing glycomics: implementation strategies at the Consortium for Functional Glycomics. Glycobiology 16(5):82R–90R. doi:10.1093/glycob/cwj080
Esko JD, Kimata K, Lindahl U (2009) Proteoglycans and sulfated glycosaminoglycans. In: Varki A, Cummings RD, Esko JD et al (eds) Essentials of glycobiology, 2nd edn. Cold Spring Harbor Laboratory, Cold Spring Harbor, NY
Aoki-kinoshita KF (2008) An introduction to bioinformatics for glycomics research. PLoS Comput Biol 4(5):1–7. doi:10.1371/journal.pcbi.1000075
Raman R, Raguram S, Venkataraman G, Paulson JC, Sasisekharan R (2005) Glycomics: an integrated systems approach to structure-function relationships of glycans. Nat Methods 2(11):817–824. doi:10.1038/NMETH807
Sasisekharan R, Raman R, Prabhakar V (2006) Glycomics approach to structure-function relationships of glycosaminoglycans. Annu Rev Biomed Eng 8:181–231. doi:10.1146/annurev.bioeng.8.061505.095745
Perez S, Mulloy B (2005) Prospects for glycoinformatics. Curr Opin Struct Biol 15:517–524
International Union of Pure and Applied Chemistry (1997) Compendium of analytical nomenclature, 3rd edn. Blackwell Science, Oxford, UK, http://www.chem.qmul.ac.uk/iupac/2carb/38.html. ISBN 86542-6155
Bohne-lang A, Lang E, Fo T (2001) LINUCS: linear notation for unique description of carbohydrate sequences. Carbohydr Res 336:1–11
Aoki-kinoshita K, Yamaguchi A, Ueda N, Akutsu T, Mamitsuka H, Goto S, Kanehisa M (2004) KCaM (KEGG carbohydrate matcher): a software tool for analyzing the structures of carbohydrate sugar chains. Nucleic Acids Res 32:W267–W272
Sahoo SS, Thomas C, Sheth A, Henson C, York WS (2005) GLYDE-an expressive XML standard for the representation of glycan structure. Carbohydr Res 340:2802–2807. doi:10.1016/j.carres.2005.09.019
York WS, Kochut KJ, Miller JA, Sahoo S, Thomas C, Henson C (2007) GLYDE-II–GLYcan structural data exchange using connection tables. University of Georgia Technical Report
Herget S, Ranzinger R, Maass K (2008) GlycoCT–a unifying sequence format for carbohydrates. Carbohydr Res 343:2162–2171. doi:10.1016/j.carres.2008.03.011
Doubet S, Albersheim P (1992) CarbBank. Glycobiology 2(6):505
Doubet S, Bock K, Smith D, Darvill A, Albersheim P (1989) The complex carbohydrate structure database. Trends Biochem Sci 14(12):475–477
Consortium for Functional Glycomics (2013) http://www.functionalglycomics.org/glycomics/molecule/jsp/carbohydrate/carbMoleculeHome.jsp. Accessed 23 Dec 2013
Consortium for Functional Glycomics Binding Proteins (2013) http://www.functionalglycomics.org/glycomics/molecule/jsp/gbpMolecule-home.jsp. Accessed 23 Dec 2013
Lütteke T, Bohne-lang A, Loss A, Goetz T, Frank M, Lieth CW (2006) GLYCOSCIENCES.de: an Internet portal to support glycomics and glycobiology research. Glycobiology 16(5):71–81. doi:10.1093/gly cob/cwj049
Glycoscience.de database (2013) http://www.glycosciences.de/tools/linucs/input.php. Accessed 23 Dec 2013
Hashimoto K, Goto S, Kawano S, Aoki-kinoshita KF, Ueda N, Hamajima M et al (2006) REVIEW KEGG as a glycome informatics resource. Glycobiology 16(5):63–70. doi:10.1093/glycob/cwj010
KEGG GenomeNet (2013) http://www.genome.jp. Accessed 23 Dec 2013
Ranzinger R, Herget S, Wetter T, Lieth CW (2008) GlycomeDB: an integration of open-access carbohydrate structure databases. BMC Bioinformatics 13:1–13. doi:10.1186/1471-2105-9-384
GlycomeDB (2013) http://www.glycome-db.org/showMenu.action?major=downloads. Accessed 23 Dec 2013
Ceroni A, Dell A, Haslam SM (2007) The GlycanBuilder: a fast, intuitive and flexible software tool for building and displaying glycan structures. Source Code Biol Med 13:1–13. doi:10.1186/1751-0473-2-3
Ceroni A, Dell A, Haslam SM (2007) GlycanBuilder. http://www.ncbi.nlm.nih.gov/pmc/articles/PMC1994674/bin/1751-0473-2-3-S1.zip. Accessed 23 Dec 2013
GlycosWorkbench (2013) http://code.google.com/p/glycoworkbench/. Accessed 23 Dec 2013
IBM Watson (2013) http://www.research.ibm.com/labs/watson/index.shtml. Accessed 23 Dec 2013
Murdoch TB, Detsky AS (2013) The inevitable application of big data to health care. JAMA 309(13):5–6
Aoki-kinoshita KF (2003) Efficient tree-matching methods for accurate carbohydrate database queries. Genome Inform 143:134–143
Smith TF, Waterman MS (1981) Identification of common molecular subsequences. J Mol Biol 147:195–197
Ueda N, Aoki-kinoshita KF, Yamaguchi A, Akutsu T (2005) A probabilistic model for mining labeled ordered trees: capturing patterns in carbohydrate sugar chains. IEEE Trans Knowl Data Eng 17(8):1051–1064
Aoki-kinoshita KF, Ueda N, Mamitsuka H, Kanehisa M (2006) ProfilePSTMM: capturing tree-structure motifs in carbohydrate sugar chains. Bioinformatics 22(14):25–34. doi:10.1093/bioinformatics/btl244
Kawano S, Hashimoto K, Miyama T, Goto S, Kanehisa M (2005) Prediction of glycan structures from gene expression data based on glycosyltransferase reactions. Bioinformatics 21:3976–3982
Suga A, Yamanishi Y, Hashimoto K, Goto S, Kanehisa M (2007) An improved scoring scheme for predicting glycan structures from gene expression data. Genome Inform 18:237–246
Venkataraman G, Shriver Z, Raman R, Sasisekharan R (1999) Sequencing complex polysaccharides. Science 286:537–542
Shriver Z, Raman R, Venkataraman G, Drummond K, Turnbull J et al (2000) Sequencing of 3-O sulfate containing heparin decasaccharides with a partial antithrombin III binding site. Proc Natl Acad Sci U S A 97:10359–10364
Guerrini M, Raman R, Venkataraman G, Torri G, Sasisekharan R, Casu B (2002) A novel computational approach to integrate NMR spectroscopy and capillary electrophoresis for structure assignment of heparin and heparan sulfate oligosaccharides. Glycobiology 12:713–719
Maxwell E, Tan Y, Tan Y, Hu H, Benson G, Aizikov K et al (2012) GlycReSoft: a software package for automated recognition of glycans from LC/MS data. PLoS One 7(9):e45474. doi:10.1371/journal.pone.0045474
Li L, Zhang F, Zaia J, Linhardt RJ (2012) Top-down approach for the direct characterization of low molecular weight heparins using LC-FT-MS. Anal Chem 84:8822–8829
Lieth CW, Bohne-Lang A, Lohmann KK, Frank M (2004) Bioinformatics for glycomics: status, methods, requirements, and perspectives. Brief Bioinform 5:164–178
Lieth CW, Lutteke T, Frank M (2006) The role of informatics in glycobiology research with special emphasis on automatic interpretation of MS spectra. Biochim Biophys Acta 1760:568–577
Lütteke T, Frank M, von der Lieth CW (2005) Carbohydrate structure suite (CSS): analysis of carbohydrate 3D structures derived from the PDB. Nucleic Acids Res 33:D242–D246
Wang H, Julenius K, Hryhorenko J et al (2007) Systematic analysis of proteoglycan modification sites in caenorhabditis elegans by scanning mutagenesis. J Biol Chem. doi:10.1074/jbc.M609193200
Shao C, Shi X, White M, Huang Y, Hartshorn K, Zaia J (2013) Comparative glycomics of leukocyte glycosaminoglycans. FEBS J 280:2447–2461. doi:10.1111/febs.12231
Konishi Y, Aoki-kinoshita KF (2012) The GlycomeAtlas tool for visualizing and querying glycome data. Bioinformatics 28(21):2849–2850. doi:10.1093/bioinformatics/bts516
Shi X, Zaia J (2009) Organ-specific heparan sulfate structural phenotypes. J Biol Chem 284:11806–11814
Smetsers TFCM, Westerlo EMA, Dam GB et al (2003) Localization and characterization of melanoma-associated glycosaminoglycans: differential expression of chondroitin and heparan sulfate epitopes in melanoma localization and characterization of melanoma-associated glycosaminoglycans. Cancer Res 63:2965–2970
Suarez ER, Paredes-gamero EJ, Giglio AD, Luis I, Nader HB, Aparecida M et al (2013) Heparan sulfate mediates trastuzumab effect in breast cancer cells. BMC Cancer 13(1):444. doi:10.1186/1471-2407-13-444
Gomes AM, Stelling MP, Pavao MSG (2013) Heparan sulfate and heparanase as modulators of breast cancer progression. Biomed Res Int. 11 pgs. http://dx.doi.org/10.1155/2013/852093
Packer NH, von der Lieth CW, Aoki-Kinoshita KF, Lebrilla CB, Paulson JC et al (2008) Frontiers in glycomics: bioinformatics and biomarkers in disease. Proteomics 8:8–20
Author information
Authors and Affiliations
Corresponding author
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2015 Springer Science+Business Media New York
About this protocol
Cite this protocol
Frey, L.J. (2015). Informatics Tools to Advance the Biology of Glycosaminoglycans and Proteoglycans. In: Balagurunathan, K., Nakato, H., Desai, U. (eds) Glycosaminoglycans. Methods in Molecular Biology, vol 1229. Humana Press, New York, NY. https://doi.org/10.1007/978-1-4939-1714-3_23
Download citation
DOI: https://doi.org/10.1007/978-1-4939-1714-3_23
Published:
Publisher Name: Humana Press, New York, NY
Print ISBN: 978-1-4939-1713-6
Online ISBN: 978-1-4939-1714-3
eBook Packages: Springer Protocols