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...

Full description

Bibliographic Details
Main Authors: Keeshaloy Thompson, Milton Brown
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