Novel and Potential Small Molecule Scaffolds as DYRK1A Inhibitors by Integrated Molecular Docking-Based Virtual Screening and Dynamics Simulation Study.
DYRK1A
ProTox-II
alzheimer’s disease (AD)
kinases
molecular docking
molecular dynamics (MD) simulation
virtual screening
Journal
Molecules (Basel, Switzerland)
ISSN: 1420-3049
Titre abrégé: Molecules
Pays: Switzerland
ID NLM: 100964009
Informations de publication
Date de publication:
09 Feb 2022
09 Feb 2022
Historique:
received:
27
01
2022
revised:
05
02
2022
accepted:
07
02
2022
entrez:
25
2
2022
pubmed:
26
2
2022
medline:
5
3
2022
Statut:
epublish
Résumé
The dual-specificity tyrosine phosphorylation-regulated kinase 1A (DYRK1A) is a novel, promising and emerging biological target for therapeutic intervention in neurodegenerative diseases, especially in Alzheimer's disease (AD). The mol
Identifiants
pubmed: 35208955
pii: molecules27041159
doi: 10.3390/molecules27041159
pmc: PMC8875901
pii:
doi:
Substances chimiques
Protein Kinase Inhibitors
0
Protein-Tyrosine Kinases
EC 2.7.10.1
Protein Serine-Threonine Kinases
EC 2.7.11.1
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Subventions
Organisme : Taif University
ID : TURSP-2020/124
Références
Curr Opin Neurol. 2012 Dec;25(6):708-14
pubmed: 23160422
Hum Mol Genet. 2007 Jan 1;16(1):15-23
pubmed: 17135279
ACS Chem Neurosci. 2017 Sep 20;8(9):1995-2004
pubmed: 28609096
Biochem J. 2008 Nov 1;415(3):353-65
pubmed: 18588507
J Chem Inf Model. 2012 Dec 21;52(12):3155-68
pubmed: 23145473
J Comput Chem. 2005 Dec;26(16):1701-18
pubmed: 16211538
Structure. 2009 Mar 11;17(3):352-62
pubmed: 19278650
J Chem Theory Comput. 2008 Mar;4(3):435-47
pubmed: 26620784
J Neurochem. 2008 Mar;104(5):1333-44
pubmed: 18005339
ACS Med Chem Lett. 2017 Sep 07;8(10):1093-1098
pubmed: 29057057
Neurobiol Dis. 2012 Apr;46(1):190-203
pubmed: 22293606
J Chem Inf Model. 2017 Dec 26;57(12):2996-3010
pubmed: 29111719
J Chem Inf Model. 2016 Dec 27;56(12):2281-2286
pubmed: 27808512
JAMA. 2009 Dec 16;302(23):2557-64
pubmed: 20009055
EMBO J. 1999 Nov 15;18(22):6329-38
pubmed: 10562545
FASEB J. 2011 Feb;25(2):449-62
pubmed: 21048044
Bioorg Med Chem Lett. 2009 Apr 15;19(8):2324-8
pubmed: 19282176
Nat Rev Drug Discov. 2014 Feb;13(2):156
pubmed: 24362362
Bioinformatics. 2010 Jan 15;26(2):198-204
pubmed: 19942586
J Med Chem. 2016 Nov 10;59(21):9814-9824
pubmed: 27736065
Cell Mol Life Sci. 2012 Feb;69(3):449-60
pubmed: 21720886
Alzheimers Dement. 2014 May;10(3):372-80
pubmed: 24589433
J Neuropathol Exp Neurol. 2011 Jan;70(1):36-50
pubmed: 21157379
J Chem Phys. 2004 May 22;120(20):9665-78
pubmed: 15267980
J Med Chem. 2006 Oct 19;49(21):6177-96
pubmed: 17034125
Nucleic Acids Res. 2011 Jul;39(Web Server issue):W486-91
pubmed: 21576229
J Biol Chem. 2008 Oct 17;283(42):28660-9
pubmed: 18658135
Bioorg Med Chem. 2009 Jul 1;17(13):4420-4
pubmed: 19477650
J Biol Chem. 2010 Oct 8;285(41):31895-906
pubmed: 20696760
Biochem J. 2007 Dec 15;408(3):297-315
pubmed: 17850214
Bioorg Med Chem. 2011 Jan 1;19(1):134-44
pubmed: 21183355
J Alzheimers Dis. 2012;28(2):241-81
pubmed: 21987594
Nat Rev Drug Discov. 2010 Oct;9(10):749-51
pubmed: 20885394
Eur J Med Chem. 2012 Mar;49:379-96
pubmed: 22305342
FEBS J. 2011 Jan;278(2):236-45
pubmed: 21156028
J Biol Chem. 2006 Nov 3;281(44):33250-7
pubmed: 16959772
J Med Chem. 2012 Jul 26;55(14):6582-94
pubmed: 22716043
J Med Chem. 2012 Nov 8;55(21):9312-30
pubmed: 22998443
Bioorg Med Chem Lett. 2011 Sep 15;21(18):5521-7
pubmed: 21813278
J Med Chem. 2015 Mar 26;58(6):2834-44
pubmed: 25738750
Bioorg Med Chem Lett. 2007 Aug 15;17(16):4664-9
pubmed: 17576063
Bioorg Med Chem Lett. 2009 Aug 15;19(16):4566-9
pubmed: 19615897
Neurology. 2004 Jun 8;62(11):1984-9
pubmed: 15184601
Neurosci Lett. 2013 Oct 25;554:135-40
pubmed: 24021800
FEBS J. 2011 Jan;278(2):223-35
pubmed: 21156027
ACS Chem Neurosci. 2012 Nov 21;3(11):857-72
pubmed: 23173067
Structure. 2013 Jun 4;21(6):986-96
pubmed: 23665168
J Med Chem. 2018 Sep 13;61(17):7560-7572
pubmed: 30095246
BMC Genomics. 2010 Jan 12;11:25
pubmed: 20067632
Nat Commun. 2010 Oct 05;1:86
pubmed: 20981014
PLoS One. 2009;4(2):e4606
pubmed: 19242551
J Neurochem. 2010 Nov;115(3):574-84
pubmed: 20456003
Nucleic Acids Res. 2019 Jul 2;47(W1):W357-W364
pubmed: 31106366
J Med Chem. 2015 Apr 9;58(7):3131-43
pubmed: 25730262
Ann Intern Med. 2020 May 19;172(10):656-668
pubmed: 32340037
J Med Chem. 2021 May 27;64(10):6745-6764
pubmed: 33975430
Nat Rev Neurol. 2013 Dec;9(12):677-86
pubmed: 24217510
Nat Biotechnol. 2008 Aug;26(8):841-3
pubmed: 18688216
J Chem Theory Comput. 2012 Sep 11;8(9):3257-3273
pubmed: 23341755
J Biomol Struct Dyn. 2021 Jul;39(10):3760-3770
pubmed: 32448034
PLoS One. 2011 May 06;6(5):e19264
pubmed: 21573099
PLoS One. 2015 Aug 05;10(8):e0134638
pubmed: 26244575
J Biol Chem. 2011 Nov 18;286(46):40401-12
pubmed: 21965663
ACS Chem Neurosci. 2012 Jan 18;3(1):50-68
pubmed: 22267984
FEBS J. 2009 Nov;276(21):6324-37
pubmed: 19796173
Bioorg Med Chem. 2009 Sep 1;17(17):6257-63
pubmed: 19665384
Nucleic Acids Res. 2018 Jul 2;46(W1):W257-W263
pubmed: 29718510
Bioorg Med Chem Lett. 2011 May 15;21(10):3152-8
pubmed: 21450467
J Chem Inf Model. 2009 Feb;49(2):444-60
pubmed: 19434845
Chem Biol. 2005 Jul;12(7):811-23
pubmed: 16039528