Investigating the Theranostic Potential of Graphene Quantum Dots in Alzheimer's Disease.
Alzheimer’s disease
Tau protein
graphene quantum dots
nanomedicine
neurofibrillary tangles
theranostic
Journal
International journal of molecular sciences
ISSN: 1422-0067
Titre abrégé: Int J Mol Sci
Pays: Switzerland
ID NLM: 101092791
Informations de publication
Date de publication:
30 May 2023
30 May 2023
Historique:
received:
24
04
2023
revised:
16
05
2023
accepted:
25
05
2023
medline:
12
6
2023
pubmed:
10
6
2023
entrez:
10
6
2023
Statut:
epublish
Résumé
Alzheimer's disease (AD) is one of the leading causes of death worldwide, with no definitive diagnosis or known cure. The aggregation of Tau protein into neurofibrillary tangles (NFTs), which contain straight filaments (SFs) and paired helical filaments (PHFs), is a major hallmark of AD. Graphene quantum dots (GQDs) are a type of nanomaterial that combat many of the small-molecule therapeutic challenges in AD and have shown promise in similar pathologies. In this study, two sizes of GQDs, GQD7 and GQD28, were docked to various forms of Tau monomers, SFs, and PHFs. From the favorable docked poses, we simulated each system for at least 300 ns and calculated the free energies of binding. We observed a clear preference for GQD28 in the PHF6 (
Identifiants
pubmed: 37298426
pii: ijms24119476
doi: 10.3390/ijms24119476
pmc: PMC10253610
pii:
doi:
Substances chimiques
Graphite
7782-42-5
tau Proteins
0
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Subventions
Organisme : Canada First Research Excellence Fund
ID : CFREF-2015-00011
Références
Ann Neurol. 1998 Jun;43(6):815-25
pubmed: 9629852
Nature. 2017 Jul 13;547(7662):185-190
pubmed: 28678775
Chem Sci. 2019 Mar 6;10(13):3881-3891
pubmed: 31015930
Front Aging Neurosci. 2022 Jul 20;14:945875
pubmed: 35936779
Science. 2008 Apr 18;320(5874):356-8
pubmed: 18420930
Int J Mol Sci. 2022 Feb 22;23(5):
pubmed: 35269542
Biochemistry. 2006 Dec 26;45(51):15692-701
pubmed: 17176091
J Cheminform. 2011 Oct 07;3:33
pubmed: 21982300
Proc Natl Acad Sci U S A. 1975 May;72(5):1858-62
pubmed: 1057175
Physiol Rev. 2004 Apr;84(2):361-84
pubmed: 15044677
Neurology. 1999 Oct 22;53(7):1421-4
pubmed: 10534245
ACS Chem Neurosci. 2022 Jul 20;13(14):2222-2234
pubmed: 35762647
Int J Mol Sci. 2020 Apr 06;21(7):
pubmed: 32268473
Front Neurosci. 2021 Oct 21;15:702788
pubmed: 34744602
Trends Pharmacol Sci. 2017 Jul;38(7):637-648
pubmed: 28455089
J Mol Graph. 1996 Feb;14(1):33-8, 27-8
pubmed: 8744570
J Comput Aided Mol Des. 2013 Mar;27(3):221-34
pubmed: 23579614
Int J Nanomedicine. 2020 Aug 14;15:6113-6135
pubmed: 32884267
J Colloid Interface Sci. 2023 Jun;639:180-192
pubmed: 36805743
J Pharm Pharmacol. 2019 Sep;71(9):1370-1383
pubmed: 31304982
J Chem Theory Comput. 2015 Aug 11;11(8):3696-713
pubmed: 26574453
Elife. 2022 Mar 04;11:
pubmed: 35244536
Nucleic Acids Res. 2000 Jan 1;28(1):235-42
pubmed: 10592235
ACS Appl Bio Mater. 2020 Sep 21;3(9):5948-5956
pubmed: 35021823
Expert Opin Investig Drugs. 2017 Jun;26(6):735-739
pubmed: 28460541
Sci Rep. 2020 Jul 28;10(1):12579
pubmed: 32724104
Nat Nanotechnol. 2018 Sep;13(9):812-818
pubmed: 29988049
J Phys Chem B. 2021 Oct 28;125(42):11628-11636
pubmed: 34643404
J Mater Chem B. 2019 Oct 16;7(40):6156-6171
pubmed: 31559403
Lancet Public Health. 2022 Feb;7(2):e105-e125
pubmed: 34998485
Ann Neurol. 2000 Dec;48(6):859-67
pubmed: 11117542
Protein Sci. 2021 Jan;30(1):70-82
pubmed: 32881101
J Chem Theory Comput. 2013 Jul 9;9(7):3084-95
pubmed: 26583988
ACS Chem Neurosci. 2017 Jun 21;8(6):1368-1377
pubmed: 28230965
EMBO J. 1990 Dec;9(13):4225-30
pubmed: 2124967
Anal Chem. 2014 Oct 21;86(20):10201-7
pubmed: 25280346
Nat Commun. 2022 Sep 16;13(1):5451
pubmed: 36114178
Phys Chem Chem Phys. 2020 May 21;22(19):10968-10980
pubmed: 32392276
Comput Biol Chem. 2021 Aug;93:107543
pubmed: 34252797
J Nanobiotechnology. 2023 Jan 31;21(1):36
pubmed: 36721182
Adv Exp Med Biol. 2019;1184:381-391
pubmed: 32096051
R Soc Open Sci. 2019 Jun 26;6(6):190271
pubmed: 31312493
Int J Biol Macromol. 2022 Apr 15;204:606-616
pubmed: 35134456
Biomed Res Int. 2015;2015:760758
pubmed: 26665008
Data Brief. 2019 Aug 22;26:104420
pubmed: 31534991
J Chem Theory Comput. 2011 Jul 12;7(7):2284-95
pubmed: 26606496
Angew Chem Int Ed Engl. 2015 Aug 24;54(35):10347-51
pubmed: 26094605
Small. 2022 Jan;18(2):e2102683
pubmed: 34549513
Front Mol Neurosci. 2020 Dec 03;13:590896
pubmed: 33343298