Computational Analysis of the Binding Mechanism of GenX and HSA.
Journal
ACS omega
ISSN: 2470-1343
Titre abrégé: ACS Omega
Pays: United States
ID NLM: 101691658
Informations de publication
Date de publication:
02 Nov 2021
02 Nov 2021
Historique:
received:
23
08
2021
accepted:
06
10
2021
entrez:
8
11
2021
pubmed:
9
11
2021
medline:
9
11
2021
Statut:
epublish
Résumé
One PFOS alternative, ammonium 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy) propanoate, known as GenX, was created to replace one of the original PFAS. This small and tough molecule has been found in surface water, groundwater, drinking water, rainwater, and air emissions in some areas in the United States. Recently, GenX has been shown to have an impact on several disease-related proteins in humans, and just like PFOS, it binds to human protein human serum albumin (HSA). In this paper, we reported four binding sites of GenX on HSA protein via docking and molecular dynamics simulation.
Identifiants
pubmed: 34746605
doi: 10.1021/acsomega.1c04592
pmc: PMC8567346
doi:
Types de publication
Journal Article
Langues
eng
Pagination
29166-29170Informations de copyright
© 2021 The Authors. Published by American Chemical Society.
Déclaration de conflit d'intérêts
The authors declare no competing financial interest.
Références
Arch Toxicol. 2009 Mar;83(3):255-61
pubmed: 18854981
Environ Health Perspect. 2020 Mar;128(3):37002
pubmed: 32212926
Proc Natl Acad Sci U S A. 2005 Dec 13;102(50):17958-63
pubmed: 16330771
Arch Toxicol. 2016 Jan;90(1):217-27
pubmed: 25370009
Environ Sci Technol. 2015 Oct 20;49(20):12306-14
pubmed: 26393377
J Mol Biol. 2008 Aug 29;381(2):394-406
pubmed: 18602119
Environ Int. 2013 Oct;60:242-8
pubmed: 24660230
Adv Protein Chem. 1994;45:153-203
pubmed: 8154369
Environ Int. 2020 Apr;137:105324
pubmed: 32109724
Acc Chem Res. 2002 Jun;35(6):358-65
pubmed: 12069620
Environ Sci Technol. 2013 Oct 1;47(19):11293-301
pubmed: 24006842
Bioorg Chem. 2017 Dec;75:332-346
pubmed: 29096094
J Mol Biol. 2000 Nov 10;303(5):721-32
pubmed: 11061971
Chemosphere. 2019 Apr;220:866-882
pubmed: 33395808
J Phys Chem B. 2010 Nov 25;114(46):14860-74
pubmed: 21028884
J Comput Chem. 2010 Mar;31(4):671-90
pubmed: 19575467
Protein Eng. 1999 Jun;12(6):439-46
pubmed: 10388840
J Comput Chem. 2009 Dec;30(16):2785-91
pubmed: 19399780
Chem Res Toxicol. 2003 Jun;16(6):775-81
pubmed: 12807361
Chem Res Toxicol. 2012 May 21;25(5):990-2
pubmed: 22482699
BMC Mol Biol. 2009 Feb 25;10:16
pubmed: 19239717
Mol Pharmacol. 1976 Nov;12(6):1052-61
pubmed: 1004490
J Struct Biol. 2010 Sep;171(3):353-60
pubmed: 20347991
AAPS J. 2015 Jan;17(1):65-82
pubmed: 25236865
Chemosphere. 2019 Aug;229:22-31
pubmed: 31071516
J Expo Sci Environ Epidemiol. 2019 Mar;29(2):131-147
pubmed: 30470793
Angew Chem Int Ed Engl. 2018 Jan 22;57(4):1044-1048
pubmed: 29193545