NR ARES
AU Lorenzen,S.; Dunkel,M.; Preissner,R.
TI Proposal of new TSE inhibitors by in silico screening of drug databases
QU TSE-Forum, 4. Kongress - Nationale TSE-Forschungsplattform, Düsseldorf 28.10.-29.10.2004, Poster THE-02
PT Konferenz-Poster
AB Today, thousands of different chemical compounds are used as drugs for a wealth of different indications. Here we demonstrate the use of a novel conformational drug database for the search of compounds with a positive influence on Transmissible Spongiform Encephalopathies (TSEs) by using two- and three dimensional structural similarity to compounds with known effect. Both methods are combined to deduce a list of 16 candidate drugs. The proposal of a small number of putative inhibitors out of about 2,300 approved essential drugs allows testing by expensive or time consuming methods with the advantage that all agents are well known and suitable for use in humans.
AD Stephan Lorenzen, Mathias Dunkel, Robert Preissner, Institute of Biochemistry, Charité, Monbijoustr. 2, 10117 Berlin
SP englisch
PO Deutschland
OR Tagungsband