Date |
November 30, 2009 |
Speaker |
University of Erlangen-Nuremberg, Germany and Molecular Networks GmbH, Germany |
Title |
Multidimensional Explorations into Biochemical Pathways |
Abstract |
In order to efficiently explore biochemical pathways we have stored the contents of the poster "Biochemical Pathways" in a reaction database, BioPath, and have enriched it with additional information. [1] Searches can now be performed for names, full structures and substructures, reaction partners, enzymes and coenzymes, organisms, reaction centers, etc. By using a standard structure format, other chemical databases and computer programs can be connected to this database. Furthermore, connection to bioinformatics databases can be made through enzyme names and enzyme codes. [2]
The database has been used to develop various applications such as
-searching for new inhibitors of enzymes [3]
-enzyme classification based on the physicochemical effects on the reaction site [4]
-discovering of essential pathways of diseases [5]
http://www.molecular-networks.com.
References;
1. http://www.molecular-networks.com/databases/biopath/
2. M. Reitz, O. Sacher, A. Tarkhov, D. Truembach, J. Gasteiger, Org. Biomol. Chem., 2004, 2, 3226-3237.
3. M. Reitz, A. von Homeyer, J. Gasteiger, J.Chem.Inf.Model., 2006,46, 2324-2332
4. O. Sacher, M. Reitz, J. Gasteiger, J.Chem.Inf.Model., 2009, 49, 1525-1534
5. G. Kastenmüller, J. Gasteiger, H.W. Mewes, Bioinformatics, 2008, 24, i56-i62
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