This project will lay the foundation for establishing a relational
database coupled with substructure searching capability pertaining to
the metabolism of xenobiotics in humans. The database will eventually be
made available on the internet via a nonprofit mechanism.
Accounting for all applicable clinical data in an unbiased manner
with regard to study protocols, and across all human genotypes and
assessed phenotypes, the database's critical mass will allow it to
be utilized to develop more accurate and meaningful human
structure-metabolism relationships (hSMR). Specific aspects of the
overall hSMR, in turn, can then be applied in a proprietary fashion to
assist in the selection and development of new drug candidates into and
through clinical testing. Equally important at this juncture, the
assembly of this type of database may be the only way to assess and
potentially validate the actual utility of the numerous biochemical and
in vitro methods that are proliferating in this field in order to
predict the metabolic fate and metabolism-associated toxicity for a new
xenobiotic upon its administration to humans.
[ILLUSTRATION OMITTED]
For more information contact the task group chair Paul Erhardt
.