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Predictive metabolism studies of varenicline and implications of its metabolites in nicotine addiction

Published online by Cambridge University Press:  10 May 2018

Keeshaloy Thompson  and
Milton Brown
Keeshaloy Thompson
Affiliation:
Georgetown - Howard Universities, Washington, DC, USA
Milton Brown
Affiliation:
Georgetown - Howard Universities, Washington, DC, USA
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Abstract

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OBJECTIVES/SPECIFIC AIMS: The central goal is to predict the metabolites of varenicline and predictively evaluate their propensities for eliciting an increased binding effect in the brain. METHODS/STUDY POPULATION: Molecular modeling computational software and other cheminformatic tools present a strategic in silico strategy to predict a complete metabolic transformation for the varenicline molecule. Molecular docking tools help to highlight key interactions of the varenicline with key metabolizing enzymes that are differentially expressed across a population. This will assist in validating clinical models for smoking cessation. RESULTS/ANTICIPATED RESULTS: Differentialized binding results depending on whatever metabolite is produced. DISCUSSION/SIGNIFICANCE OF IMPACT: Products of metabolism of varenicline may differ in individuals and across groups, thus, binding effects and the propensity for adverse effects may differ in individuals.

Type
Outcomes Research/Health Services Research/Comparative Effectiveness
Information
Journal of Clinical and Translational Science , Volume 1 , Supplement S1 , September 2017 , pp. 82 - 83
Creative Commons
Creative Common License - CCCreative Common License - BY
This is an Open Access article, distributed under the terms of the Creative Commons Attribution licence (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.
Copyright
© The Association for Clinical and Translational Science 2018