ゲノム情報科学研究教育機構  アブストラクト
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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