Metabolism: An Integrative View of in-vitro/in-silico Approaches to Design New CompoundsTuesday, 18 February 2014 at 15:15 Add to Calendar ▼2014-02-18 15:15:002014-02-18 16:15:00Europe/LondonMetabolism: An Integrative View of in-vitro/in-silico Approaches to Design New CompoundsADME and Predictive Toxicology in Barcelona, SpainBarcelona, SpainSELECTBIOenquiries@selectbiosciences.com There are several aspects of xenobiotic metabolism that are relevant for Drug Discovery, moving from clearance of the compound to the drug-drug interaction produced by reactive metabolites or inhibition of metabolic enzymes. All these factors can be studied in in-vitro systems, that typically yield a number (i.e. IC50 when measuring inhibition properties or Clint when measuring clearance properties). In this presentation we will show an innovative approach that mixes in-vitro results from High Resolution Mass Spec with in-silico tools to provide not only a number but an hypothesis for the cause of the metabolic interaction. |