Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
10884721 | Biosystems | 2005 | 6 Pages |
Abstract
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 2300 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.
Keywords
Related Topics
Physical Sciences and Engineering
Mathematics
Modelling and Simulation
Authors
Stephan Lorenzen, Mathias Dunkel, Robert Preissner,