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Protein modeling in silico: providing new targets for a drug design

Sebastian Kmiecik 1Andrzej Kolinski 2

1. Selvita S.A., ul. Bobrzyńskiego 14, Kraków 30-348, Poland
2. Uniwersytet Warszawski, Wydział Chemii, Warszawa, Poland

Abstract
Major bottleneck to develop innovative treatments for human diseases is the lack of new "drugable" protein targets. Most new drugs interact with the same protein targets as the old equivalents, so the progress in diseases treatment is slower than expected. Thus, structures of new drug targets are needed to guide drug discovery and therefore to develop new, even breakthrough, methods of therapy.

Thanks to international effort of genome sequencing projects, last years brought massive amount of new amino acid sequences. Although experimental methods for determining protein structure are providing new structures, they cannot keep the pace at which sequences are resolved. For a large fraction of proteins whose structures will not be determined experimentally, computational methods can provide valuable information.

Selvita's goal is to provide computational methods that accurately predict protein structure and protein complexes. Our modeling technology is based on the CABS model, state-of-the-art approach to protein structure prediction. Our innovative, comparative modeling strategies enable high-accuracy structure prediction using existing, even remote, protein homologs as scaffolds. Combining results of structure prediction and modeling with lead optimization techniques provides a unique opportunity for a new level of rational drug design.

 

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Related papers

Presentation: Oral at VI Multidyscyplinarna Konferencja Nauki o Leku, by Sebastian Kmiecik
See On-line Journal of VI Multidyscyplinarna Konferencja Nauki o Leku

Submitted: 2008-03-11 14:10
Revised:   2009-06-07 00:48