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Program- Discovery & Development Forum
- Translational Bioinformatics
- Systems Biology
- Blood Brain Barrier
- Predictive Toxicology
- Berg, E
- Bhal, S
- Bryant, S
- Elkin, P
- Floudas, C
- Fraczkiewicz, R
- Hardy, B
- Judson, R
- Mu, F
- No, K
- Patlewicz, G
- Pelekis, M
- Poroikov, V
- Tsaioun, K
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Discussion Topics
1. High throughput in vitro screening for predictive toxicology; the ToxCast project
2. Predictive Metabolism / Biotransformation using in silico and in vitro methods
Issues
i. Why is this an issue ?– most in vitro systems don’t do this
ii. What fraction of chemicals are biotransformed?
iii. Possibility of activation and deactivation
iv. Many possible metabolites – need to predict abundance and rates
v. What HTS data can be used to help?
3. Predictive Pharmacokinetics
Issues
i. Need to predict metabolism, absorption and distribution
ii. PBPK models
iii. Link between models and in vitro data
4. QSAR Modeling of Toxicity
Issues
i. Where can we expect success and where not?
ii. Chemical domain issues
iii. Pharmaceuticals vs. industrial chemicals
iv. What endpoints are used for anchoring of models?
5. Pathway-based modeling of toxicity
Issues
i. Need to understand link between pathway and not just target effects of chemicals and their toxicity
ii. Leverage wealth of information from the human genome project
iii. Many cell-based assays really probe pathways and not single targets
6. Novel Cell-based and model organism systems for specific endpoints
a. Issues
i. There are good cell-models or assays for certain endpoints (cancer, ion-channel issues) but a dearth for others
b. Potential examples
i. Developmental – stem cells, zebra fish
ii. Cancer – cell lines, read outs
iii. Inflammation
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