Session 6: Metabolomics as tool

Metabolomics as tool for read-across
OpenTox Euro 2014 speaker: Volker Strauss

Volker Strauss


BASF SE, Germany


V. Strauss, H. Kamp, G. Montoya, E. Fabian, M. Herold, G. Krennrich, R. Looser, W. Mellert, E. Peter, T. Walk, B. van Ravenzwaay

Wed, 24. Sep. 2014

BASF SE and metanomics GmbH have developed a metabolomics data base (MetaMap®Tox) containing plasma metabolome changes in Wistar rats induced by more than 500 data rich chemicals, agrochemicals and active pharmaceutical ingredients derived from 28 day repeated dose toxicity studies.

This database is used as tool to identify toxicological modes of action and to compare the toxicity of new compounds with reference substances.

In addition the MetaMap®Tox database could very well serve as tool for (biology based) grouping of chemicals and for subsequent read-across according to the definition of EChA: “Substances that are structurally similar with physicochemical, toxicological, ecotoxicological and/or environmental fate properties that are likely to be similar or to follow a regular pattern may be considered as a group of substances.

Within this group of substances, a data gap might be filled by read-across (Ref.: ECHA-13-R-02-EN, April 2013)”.

In the presentation, various examples for the successful use of metabolomics for read-across will be discussed:

Structure related similarities regarding receptor-binding capacities
Similarities regarding enzyme inhibiting potentials
Structure related quantitative toxicological effects
Structure related versus biology-based comparison of compounds: from QSAR to QBAR