Proteochemometric group
Introduction
Proteochemometrics is a new bioinformatics technology for functional genomics analysis in development by the proteochemometric group, headed by Prof. Jarl Wikberg. Proteochemometrics has the potential to be applied over entire genomes and proteomes. Applied on a large scale proteochemometrics may become a prime tool for biomedical research. Its most important application is expected to be drug design.
Drug development is a tedious and resource demanding process. The cloning of the genome and the last years achievements in molecular biology have brought great hopes to the development of new types of drugs. Unfortunately the knowledge has not been accompanied by an increased productivity among the pharmaceutical industry. This is due to the large difficulty to transcribe the information into chemical structures, which in an optimal way interacts with the target proteins.
In order to meet these demands we are developing a new technology, proteochemometics. Proteochemometrics is a bioinformatic approach to drug design, protein engineering, target analysis and functional genomics analysis. Proteochemometrics combines chemical organic synthesis/design and molecular biological molecular pharmacological analysis with bioinformatics/mathematical modeling.
Proteochemometrics is very different from earlier used methods. It is general and can be applied over entire genomes and proteomes. With it we can build detailed maps (down to the physico-chemical and structural level) for the interactions of organic molecules with macromolecules in a cell and these maps are directly useful for the design of new molecules with desired properties.
Proteochemometrics demands limited amounts of cheap data and does not require the knowledge of the 3D structure of the proteins. Proteochemometrics could therefore be applied over entire proteomes and genomes. Applied on a large scale proteochemometrics may become a prime tool for drug design, protein engineering and functional genomics analysis.
Current projects on proteochemometrics include HIV-proteases, G-protein coupled receptors, and antibodies.
We are also developing software tools for chemo- and bioinformatics applications in the Bioclipse www.bioclipse.net project. Further information on proteochemometrics can be found at www.proteochemometrics.org
Click here to read all our publications
www.farmbio.uu.se/upload/avd2/jarl/publ.html
If you are interested in performing research on proteochemometrics you are welcome to contact us:
Contact person:
Prof. Jarl Wikberg, tel +46-70-3 449 549; fax +46-18-55 97 18
Email: Jarl.Wikberg@farmbio.uu.se
Principal investigator(s)
Researchers
- Alvarsson, Jonathan
- Eklund, Martin
- Junaid, Muhammad
- Lapins, Maris
- Prakash, Stephy
- Spjuth, Ola
- Yahorau, Aleh
- Yahorava, Sviatlana
Recent publications
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