Abstract
The pharmaceutical industry is hunting for high-affinity inhibitors of medical targets, but most of them fail in clinical trials because of severe side effects. On the other hand, there is a growing knowledge about multiple targets and their role in various signalling pathways. Therefore, the integration of experimental data, literature knowledge about drugs, targets, their metabolism, ontology, and related pathways is an important task to achieve better understanding of drug mechanisms on a systems biological level.
This is a preview of subscription content, log in via an institution to check access.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
Goede, A., et al.: SuperDrug: a conformational drug database. Bioinformatics 21(9), 1751–1753 (2005)
Skrbo, A., Begovic, B., Skrbo, S.: Classification of drugs using the ATC system (Anatomic, Therapeutic, Chemical Classification) and the latest changes. Med. Arh. 58(1 Supp1 2), 138–141 (2004)
Harris, M.A., et al.: The Gene Ontology (GO) database and informatics resource. Nucleic Acids Res. 32(Database issue), 258–261 (2004)
Thimm, M., et al.: Comparison of 2D similarity and 3D superposition. Application to searching a conformational drug database. J. Chem. Inf. Comput. Sci. 44(5), 1816–1822 (2004)
Willett, P.: Similarity-based virtual screening using 2D fingerprints. Drug Discov. Today 11(23-24), 1046–1053 (2006)
Collins, M.J.: The NCI Developmental Therapeutics Program. Clin. Adv. Hemtol. Oncol. 4(4), 271–273 (2006)
Ikediobi, O.N., et al.: Mutation analysis of 24 known cancer genes in the NCI-60 cell line set. Mol. Cancer Ther. 5(11), 2606–2612 (2006)
Martin, Y.C., Kofron, J.L., Traphagen, L.M.: Do structurally similar molecules have similar biological activity? J. Med. Chem. 45(19), 4350–4358 (2002)
Dunkel, M., et al.: SuperNatural: a searchable database of available natural compounds. Nucleic Acids Res. 34(Database issue), 678–683 (2006)
Author information
Authors and Affiliations
Editor information
Rights and permissions
Copyright information
© 2007 Springer-Verlag Berlin Heidelberg
About this paper
Cite this paper
Gunther, S., Neumann, S., Ahmed, J., Preissner, R. (2007). Cellular Fingerprints: A Novel Concept for the Integration of Experimental Data and Compound-Target-Pathway Relations (Extended Abstract). In: Sagot, MF., Walter, M.E.M.T. (eds) Advances in Bioinformatics and Computational Biology. BSB 2007. Lecture Notes in Computer Science(), vol 4643. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-540-73731-5_18
Download citation
DOI: https://doi.org/10.1007/978-3-540-73731-5_18
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-73730-8
Online ISBN: 978-3-540-73731-5
eBook Packages: Computer ScienceComputer Science (R0)