Identification of Compounds for Butyrylcholinesterase Inhibition.
BChE inhibitors
butyrylcholinesterase
colorimetric BChE assay
molecular docking
qHTS
Journal
SLAS discovery : advancing life sciences R & D
ISSN: 2472-5560
Titre abrégé: SLAS Discov
Pays: United States
ID NLM: 101697563
Informations de publication
Date de publication:
12 2021
12 2021
Historique:
pubmed:
17
7
2021
medline:
11
3
2022
entrez:
16
7
2021
Statut:
ppublish
Résumé
Butyrylcholinesterase (BChE) is a nonspecific cholinesterase enzyme that hydrolyzes choline-based esters. BChE plays a critical role in maintaining normal cholinergic function like acetylcholinesterase (AChE) through hydrolyzing acetylcholine (ACh). Selective BChE inhibition has been regarded as a viable therapeutic approach in Alzheimer's disease. As of now, a limited number of selective BChE inhibitors are available. To identify BChE inhibitors rapidly and efficiently, we have screened 8998 compounds from several annotated libraries against an enzyme-based BChE inhibition assay in a quantitative high-throughput screening (qHTS) format. From the primary screening, we identified a group of 125 compounds that were further confirmed to inhibit BChE activity, including previously reported BChE inhibitors (e.g., bambuterol and rivastigmine) and potential novel BChE inhibitors (e.g., pancuronium bromide and NNC 756), representing diverse structural classes. These BChE inhibitors were also tested for their selectivity by comparing their IC
Identifiants
pubmed: 34269114
doi: 10.1177/24725552211030897
pmc: PMC8637366
pii: S2472-5552(22)06770-3
doi:
Substances chimiques
Cholinesterase Inhibitors
0
Acetylcholinesterase
EC 3.1.1.7
Butyrylcholinesterase
EC 3.1.1.8
Terbutaline
N8ONU3L3PG
bambuterol
Y1850G1OVC
Types de publication
Journal Article
Research Support, N.I.H., Intramural
Langues
eng
Sous-ensembles de citation
IM
Pagination
1355-1364Références
ACS Med Chem Lett. 2014 Nov 24;6(1):84-8
pubmed: 25589936
J Chem Inf Model. 2015 Mar 23;55(3):510-28
pubmed: 25647539
Bioorg Med Chem. 2017 Nov 1;25(21):5981-5994
pubmed: 28986116
J Med Chem. 2014 Oct 9;57(19):8167-79
pubmed: 25226236
Curr Chem Genomics. 2010 Oct 21;4:57-66
pubmed: 21331310
Alzheimer Dis Assoc Disord. 2003 Apr-Jun;17(2):117-26
pubmed: 12794390
Bioorg Med Chem. 2005 Dec 15;13(24):6795-802
pubmed: 16183292
Pharmacotherapy. 2000 Mar;20(3):270-9
pubmed: 10730683
J Enzyme Inhib Med Chem. 2009 Apr;24(2):553-8
pubmed: 18728994
Methods Mol Biol. 2016;1473:111-22
pubmed: 27518629
Proc Natl Acad Sci U S A. 2015 Feb 17;112(7):2251-6
pubmed: 25646463
Proc Natl Acad Sci U S A. 2006 Jun 6;103(23):8628-33
pubmed: 16731619
Pharmacol Ther. 1990;47(1):35-60
pubmed: 2195556
Drugs Aging. 2001;18(12):891-8
pubmed: 11888344
Eur J Med Chem. 2017 May 26;132:294-309
pubmed: 28371641
Biochemistry. 1993 Jan 12;32(1):12-7
pubmed: 8418833
Ann Neurol. 1997 Dec;42(6):909-18
pubmed: 9403484
Biochem J. 2013 Aug 1;453(3):393-9
pubmed: 23679855
J Pharmacol Exp Ther. 2008 Dec;327(3):898-909
pubmed: 18753409
J Med Chem. 2008 Jul 24;51(14):4200-12
pubmed: 18570368
Aliment Pharmacol Ther. 2010 Mar;31(6):615-24
pubmed: 20003095
Annu Rev Pharmacol Toxicol. 1994;34:281-320
pubmed: 8042853
Sci Rep. 2016 Dec 21;6:39495
pubmed: 28000737
Proc Natl Acad Sci U S A. 2006 Aug 1;103(31):11473-8
pubmed: 16864780
Chem Biol. 2014 Nov 20;21(11):1433-43
pubmed: 25442375
Curr Med Res Opin. 1986;10(1):52-7
pubmed: 3516580
Sci Transl Med. 2011 Apr 27;3(80):80ps16
pubmed: 21525397
FEBS J. 2008 May;275(10):2617-31
pubmed: 18422653
Biochim Biophys Acta. 1999 Aug 17;1433(1-2):261-71
pubmed: 10446376
Anticancer Res. 2018 Sep;38(9):5093-5099
pubmed: 30194154
J Comput Chem. 2010 Jan 30;31(2):455-61
pubmed: 19499576
Science. 1991 Aug 23;253(5022):872-9
pubmed: 1678899
Ann N Y Acad Sci. 2000;920:321-7
pubmed: 11193171
Biochem Pharmacol. 2005 Nov 25;70(11):1673-84
pubmed: 16213467
Methods Mol Biol. 2016;1473:123-34
pubmed: 27518630
J Am Chem Soc. 2003 Mar 5;125(9):2462-74
pubmed: 12603134
Molecules. 2017 Nov 29;22(12):
pubmed: 29186056
Toxicol In Vitro. 2019 Apr;56:93-100
pubmed: 30625376
Eur J Biochem. 2002 Feb;269(4):1154-61
pubmed: 11856351
Biochem J. 1989 Jun 15;260(3):625-34
pubmed: 2669736
Proc Natl Acad Sci U S A. 2005 Nov 22;102(47):17213-8
pubmed: 16275899