Modelling changes in glutathione homeostasis as a function of quinone redox metabolism
- Submitting institution
-
Liverpool John Moores University
- Unit of assessment
- 11 - Computer Science and Informatics
- Output identifier
- 1061
- Type
- D - Journal article
- DOI
-
10.1038/s41598-019-42799-2
- Title of journal
- Scientific Reports
- Article number
- 6333
- First page
- -
- Volume
- 9
- Issue
- 1
- ISSN
- 2045-2322
- Open access status
- Compliant
- Month of publication
- April
- Year of publication
- 2019
- URL
-
-
- Supplementary information
-
-
- Request cross-referral to
- -
- Output has been delayed by COVID-19
- No
- COVID-19 affected output statement
- -
- Forensic science
- No
- Criminology
- No
- Interdisciplinary
- Yes
- Number of additional authors
-
6
- Research group(s)
-
-
- Citation count
- 5
- Proposed double-weighted
- No
- Reserve for an output with double weighting
- No
- Additional information
- The work presents a novel approach to predicting redox cycling toxicity, specifically focused on the commonly used anti-cancer drug Doxorubicin. The work presents the combined in vitro and in silico framework used to predict redox-based glutathione depletion, investigating the concentration and exposure duration
required to yield toxicity. The study deploys thermodynamic-based rate equations to simulate experimentally difficult outputs. This work is currently being used by GlaxoSmithKline to assess the role of redox cycling of the 8-aminoquinoline compounds used to treat malaria (Andy Harrell, Drug Metabolism and Pharmcokinetics Division (andrew.w.harrell@gsk.com).
- Author contribution statement
- -
- Non-English
- No
- English abstract
- -
