Chapter 9. Unraveling Mechanisms of Toxicity with the Power of Pathways: ToxWiz Tool as an Illustrative Example
- Anton Yuryev PhD
Published Online: 21 APR 2008
DOI: 10.1002/9780470399279.ch9
Copyright © 2008 John Wiley & Sons, Inc.
Book Title
Pathway Analysis for Drug Discovery: Computational Infrastructure and Applications
Additional Information
How to Cite
Kühnel, M. P., Cosovic, B., Medic, G., Russell, R. B. and Apic, G. (2008) Unraveling Mechanisms of Toxicity with the Power of Pathways: ToxWiz Tool as an Illustrative Example, in Pathway Analysis for Drug Discovery: Computational Infrastructure and Applications (ed A. Yuryev), John Wiley & Sons, Inc., Hoboken, NJ, USA. doi: 10.1002/9780470399279.ch9
Editor Information
Ariadne Genomics Inc., 9430 Key West Avenue, Suite 113, Rockville, MD 20850, USA
Publication History
- Published Online: 21 APR 2008
- Published Print: 12 SEP 2008
Book Series:
Book Series Editors:
- Sean Ekins
ISBN Information
Print ISBN: 9780470107058
Online ISBN: 9780470399279
- Summary
- Chapter
- References
Keywords:
- ToxWiz knowledge bases and toxic effects pathways;
- systems biology approach in molecular toxicology mechanism;
- phthalic compound chemical substructure search
Summary
This chapter contains sections titled:
Introduction
The Wind of Change in Toxicology: Toward Understanding Mechanisms of Toxicity and Predicting Toxicities for Novel Compounds
Systems Biology Approach Enables Unprecedented Insights into Molecular Mechanisms of Toxicology
Why Now and Not 30 Years Ago?
Predicting Toxicity and Making a Mechanistic Hypothesis Based Only on Chemical Structure: A Case Study with a Phthalates
Chemical Structure Search: Searching for Phthalate Compounds
Finding Toxicity in Testis by Analyzing Expression Study of Liver Tissue from Mice Treated with Phthalic Acid
Mapping the Microarray Data onto Toxic Endpoints
Exploring Toxic Endpoints
Combining the Results of the Substructure Search with the Microarray Data
Solution to Common Problems Toxicologists Face: Finding a Molecular Rationale for Unexpected Toxic Endpoints
Chemical Search for Nicotinate
Mapping the Compound Set onto Toxic Endpoints
Previously Observed Xenobiotics that Cause Testis Problems
Nicotinates with Lipophilic Substituents Acting on RARα
The Molecular Details of the Prediction
Exploring the Molecular Basis of Combination Drugs Using ToxWiz
Conclusions
About Cambridge Cell Networks
References