Biomedical Engineering Reference
In-Depth Information
Tropical Disease Database (https://www.ebi.ac.uk/chemblntd), making
the data publicly available [25]. These compounds will be tested against
a number of toxicity-related predictive models, as outlined in Table 2.2,
see [16] for a more detailed description. The Decision Support plug-in
allows detailed information as to how the decision for a particular
endpoint was reached, using a variety of data types outlined in Table 2.3.
The OpenTox extension currently does not make use of this, as there is
no ontology available at this moment to communicate this information.
However, this is under development.
Each of the chemicals in the TCAMS inhibits growth of the 3D7 strain
of
Plasmodium falciparum
- the malaria causing parasite - by at
least 80% at a concentration of 2 μM. Many also show a similar effect
against the multidrug-resistant
P. falciparum
strain DD2. Evidence for
liver toxicity is provided by growth inhibition data against human
hepatoma HepG2 cells. Of all TCAMS compounds, 857 are annotated
with a so-called target hypothesis. This target hypothesis had been
obtained by comparing each compound with public and GSK-internal
data of compound-target relationships, accepting a target hypothesis if a
homologue to the identifi ed target exists in
P. falciparum
and unless
many compound-target relationships had been identifi ed for a given
chemical. Of this subset, 233 are annotated as potential Ser/Thr kinase
inhibitors.
Description of the local endpoints provided by the
default Bioclipse Decision Support extension. The
OpenTox integrates further tests, which are not
described in this table. An up-to-date overview of
services available on the OpenTox network is provided
at http://apps.ideaconsult.net:8080/
ToxPredict#Models
Table 2.2
Ames mutagenicity
The Ames
Salmonella
microsome mutagenicity assay
(AMES test) indicates if a compound can induce
mutations to DNA.
CPDB
Carcinogenic Potency Database (CPDB) contains data
on compounds known to lead to cancer.
AhR
Aryl hydrocarbon receptor (AhR) is a transcription
factor involved in the regulation of xenobiotic-
metabolizing enzymes, such as cytochrome P450.
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