Books and Book Chapters

    Xenobiotic Metabolism Activation as a Biomarker of Cigarette Smoke Exposure Response

    Iskandar, A. R.

    Date published
    Sep 10, 2015
    DOI
    10.1007/978-1-4939-2778-4_12
    ISBN
    978-1-4939-2778-4
    Published in
    Computational Systems Toxicology
    Editors
    Hoeng, J.; Peitsch, M. C.
    Topic
    Summary

    The recent advances in “omics” technologies have generated various in silico approaches for toxicity assessment. In silico-based toxicity predictions can overcome certain major drawbacks of laboratory experiments, including the limitation of conducting experiments in a chemical-by-chemical basis that can be expensive. This chapter discusses some recent applications of in silico approaches utilizing xenobiotic metabolism that can be used to assess the impact of cigarette smoke (CS). We first outline recent studies using quantum mechanics/molecular modeling and quantitative structure–activity relationships that focus on smoking-relevant cytochrome P450 (CYP) enzymes. Subsequently, we describe several network-based approaches for toxicity assessment and relevant use cases leveraging a xenobiotic metabolism network model for a quantitative assessment of CS impact.