2532
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 st...
Main Authors: | , |
---|---|
Format: | Article |
Language: | English |
Published: |
Cambridge University Press
2017-09-01
|
Series: | Journal of Clinical and Translational Science |
Online Access: | https://www.cambridge.org/core/product/identifier/S2059866117002916/type/journal_article |
_version_ | 1811156754668453888 |
---|---|
author | Keeshaloy Thompson Milton Brown |
author_facet | Keeshaloy Thompson Milton Brown |
author_sort | Keeshaloy Thompson |
collection | DOAJ |
description | 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. |
first_indexed | 2024-04-10T04:56:34Z |
format | Article |
id | doaj.art-0e1e9917d2d84edb8868d6f641f60232 |
institution | Directory Open Access Journal |
issn | 2059-8661 |
language | English |
last_indexed | 2024-04-10T04:56:34Z |
publishDate | 2017-09-01 |
publisher | Cambridge University Press |
record_format | Article |
series | Journal of Clinical and Translational Science |
spelling | doaj.art-0e1e9917d2d84edb8868d6f641f602322023-03-09T12:30:05ZengCambridge University PressJournal of Clinical and Translational Science2059-86612017-09-011828310.1017/cts.2017.2912532Keeshaloy Thompson0Milton Brown1Georgetown - Howard Universities, Washington, DC, USAGeorgetown - Howard Universities, Washington, DC, USAOBJECTIVES/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.https://www.cambridge.org/core/product/identifier/S2059866117002916/type/journal_article |
spellingShingle | Keeshaloy Thompson Milton Brown 2532 Journal of Clinical and Translational Science |
title | 2532 |
title_full | 2532 |
title_fullStr | 2532 |
title_full_unstemmed | 2532 |
title_short | 2532 |
title_sort | 2532 |
url | https://www.cambridge.org/core/product/identifier/S2059866117002916/type/journal_article |
work_keys_str_mv | AT keeshaloythompson 2532 AT miltonbrown 2532 |