Data on ADME parameters of bisphenol A and its metabolites for use in physiologically based pharmacokinetic modelling.
ADME
BPA
Bisphenol A
Modelling
Oral route
PBPK
Journal
Data in brief
ISSN: 2352-3409
Titre abrégé: Data Brief
Pays: Netherlands
ID NLM: 101654995
Informations de publication
Date de publication:
Jun 2023
Jun 2023
Historique:
received:
24
01
2023
revised:
11
03
2023
accepted:
24
03
2023
medline:
24
4
2023
pubmed:
24
4
2023
entrez:
24
04
2023
Statut:
epublish
Résumé
The paper presents the collection of physicochemical parameters of bisphenol A (BPA) and its sulfate (BPAS) and glucuronide (BPAG) conjugates, accompanied by data characterizing their absorption, distribution, metabolism and excretion (ADME) behavior following oral administration of BPA. The data were collected from open literature sources and publicly available databases. Additionally, data calculated by using the MarvinSketch 18.30.0 software or predicted by relevant QSAR models built in Simcyp® Simulator were also used. All data were analysed and are fit for purpose if necessary to ensure a reliable prediction of pharmacokinetics of BPA and its conjugates. The data selection process and reasoning for fitting is provided to allow critical assessment and to ensure data transparency. Finally, the sensitivity analysis was performed to assess the influence of the selected parameters on the PBPK model predictions.
Identifiants
pubmed: 37089201
doi: 10.1016/j.dib.2023.109101
pii: S2352-3409(23)00220-2
pmc: PMC10120294
doi:
Types de publication
Journal Article
Langues
eng
Pagination
109101Informations de copyright
© 2023 The Author(s).
Déclaration de conflit d'intérêts
Sebastian Polak and Zofia Bielecka are Certara UK (Simcyp Division) employees. All other authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
Références
Drug Metab Dispos. 2002 Dec;30(12):1497-503
pubmed: 12433825
J Med Chem. 1998 Dec 3;41(25):4939-49
pubmed: 9836611
Toxicol Rep. 2020 Jan 14;7:149-154
pubmed: 31993333
Toxicol Appl Pharmacol. 2023 Jan 15;459:116357
pubmed: 36572228
Xenobiotica. 2002 Oct;32(10):925-34
pubmed: 12419020
AAPS J. 2009 Jun;11(2):225-37
pubmed: 19381840
Drug Metab Dispos. 2015 Apr;43(4):467-76
pubmed: 25576162
Arch Toxicol. 2019 Jul;93(7):1941-1953
pubmed: 31111190
Toxicol Appl Pharmacol. 2015 Oct 15;288(2):131-42
pubmed: 25620055
Arch Toxicol. 2002 Jun;76(5-6):299-305
pubmed: 12107647
Toxicol Lett. 2010 Oct 5;198(2):210-5
pubmed: 20599483
J Pharm Sci. 2006 Jun;95(6):1238-57
pubmed: 16639716
Mol Divers. 2003;7(1):69-87
pubmed: 14768905
Environ Int. 2015 Oct;83:107-15
pubmed: 26115537
Drug Metab Dispos. 2008 Mar;36(3):535-42
pubmed: 18096674
Xenobiotica. 2017 Jan;47(1):1-10
pubmed: 26999266
Biopharm Drug Dispos. 2017 Mar;38(2):94-114
pubmed: 28214380
Drug Metab Dispos. 2005 Mar;33(3):419-25
pubmed: 15616151
Toxicol Appl Pharmacol. 2015 May 1;284(3):323-9
pubmed: 25759244