Alvaxanthone, a Thymidylate Synthase Inhibitor with Nematocidal and Tumoricidal Activities.
Adenosine Triphosphate
/ metabolism
Animals
Antinematodal Agents
/ pharmacology
Antineoplastic Agents
/ pharmacology
Caenorhabditis elegans
/ drug effects
Caspase 3
/ metabolism
Caspase 7
/ metabolism
Cell Adhesion
/ drug effects
Cell Death
/ drug effects
Cell Line, Tumor
Cell Proliferation
/ drug effects
Drug Screening Assays, Antitumor
Enzyme Inhibitors
/ chemistry
Humans
Inhibitory Concentration 50
Small Molecule Libraries
Thymidylate Synthase
/ antagonists & inhibitors
Toxicity Tests
Xanthones
/ chemistry
cytotoxicity
inhibitor
nematocidal activity
thymidylate synthase
xanthones
Journal
Molecules (Basel, Switzerland)
ISSN: 1420-3049
Titre abrégé: Molecules
Pays: Switzerland
ID NLM: 100964009
Informations de publication
Date de publication:
23 Jun 2020
23 Jun 2020
Historique:
received:
03
05
2020
revised:
15
06
2020
accepted:
19
06
2020
entrez:
27
6
2020
pubmed:
27
6
2020
medline:
20
2
2021
Statut:
epublish
Résumé
With the aim to identify novel inhibitors of parasitic nematode thymidylate synthase (TS), we screened in silico an in-house library of natural compounds, taking advantage of a model of nematode TS three-dimensional (3D) structure and choosing candidate compounds potentially capable of enzyme binding/inhibition. Selected compounds were tested as (i) inhibitors of the reaction catalyzed by TSs of different species, (ii) agents toxic to a nematode parasite model (
Identifiants
pubmed: 32586022
pii: molecules25122894
doi: 10.3390/molecules25122894
pmc: PMC7356228
pii:
doi:
Substances chimiques
Antinematodal Agents
0
Antineoplastic Agents
0
Enzyme Inhibitors
0
Small Molecule Libraries
0
Xanthones
0
alvaxanthone
0
Adenosine Triphosphate
8L70Q75FXE
Thymidylate Synthase
EC 2.1.1.45
Caspase 3
EC 3.4.22.-
Caspase 7
EC 3.4.22.-
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Subventions
Organisme : Narodowe Centrum Nauki
ID : 2016/21/BNZ1/00288
Références
Z Naturforsch C J Biosci. 2016;71(5-6):121-31
pubmed: 27140303
J Med Chem. 2015 Sep 10;58(17):7076-87
pubmed: 26295373
Drug Discov Today. 2006 Jul;11(13-14):607-15
pubmed: 16793529
J Mol Graph Model. 2017 Oct;77:33-50
pubmed: 28826032
Sci Rep. 2017 Mar 03;7:42717
pubmed: 28256516
Adv Drug Deliv Rev. 2001 Mar 1;46(1-3):3-26
pubmed: 11259830
Biochim Biophys Acta. 2015 Dec;1854(12):1922-1934
pubmed: 26315778
Chem Biol Interact. 2016 Dec 25;260:248-255
pubmed: 27720947
Cell Death Dis. 2014 Sep 04;5:e1406
pubmed: 25188516
Cancer Cell. 2004 Apr;5(4):341-51
pubmed: 15093541
Parasitology. 2000 Jun;120 ( Pt 6):593-600
pubmed: 10874722
J Clin Invest. 2008 Apr;118(4):1311-21
pubmed: 18382743
Bioorg Med Chem. 2010 May 15;18(10):3361-70
pubmed: 20430630
Biochem Pharmacol. 1987 Jan 15;36(2):203-10
pubmed: 3814166
J Med Chem. 2010 Apr 8;53(7):2719-40
pubmed: 20131845
Planta Med. 2005 Mar;71(3):273-4
pubmed: 15770550
Toxins (Basel). 2019 Sep 01;11(9):
pubmed: 31480508
J Biol Chem. 2017 Aug 11;292(32):13449-13458
pubmed: 28634233
Curr Med Chem. 2005;12(2):191-202
pubmed: 15638735
Drug Resist Updat. 2015 Nov;23:20-54
pubmed: 26690339
Eur J Pharmacol. 2019 Nov 15;863:172678
pubmed: 31542481
J Med Chem. 2002 Jun 6;45(12):2615-23
pubmed: 12036371
Chem Biodivers. 2004 Sep;1(9):1385-90
pubmed: 17191916
Acta Biochim Pol. 1993;40(3):363-8
pubmed: 8249493
MLO Med Lab Obs. 2001 Jan;33(1):24-31; quiz 32-3
pubmed: 11211415
J Med Chem. 2017 Mar 9;60(5):1620-1637
pubmed: 28074653
Toxicol Pathol. 2007 Jun;35(4):495-516
pubmed: 17562483
J Invest Dermatol. 2016 Jan;136(1):e1-e7
pubmed: 26763463
Curr Med Chem. 2005;12(19):2241-58
pubmed: 16178783
J Chem Inf Model. 2011 Mar 28;51(3):578-96
pubmed: 21323318
Pharmacol Res. 2018 Mar;129:500-514
pubmed: 29197639
Cancer J Sci Am. 1998 Sep-Oct;4(5):287-95
pubmed: 9815290
Bioinformatics. 2017 Nov 15;33(22):3658-3660
pubmed: 28961788
Sci Rep. 2017 May 19;7(1):2213
pubmed: 28526832
J Cell Biol. 2001 Apr 16;153(2):319-28
pubmed: 11309413
PLoS One. 2019 Mar 25;14(3):e0205623
pubmed: 30908483
Antimicrob Agents Chemother. 1996 Feb;40(2):279-91
pubmed: 8834867
Mini Rev Med Chem. 2008 Apr;8(4):388-98
pubmed: 18473929
Cell Death Dis. 2016 Sep 22;7(9):e2376
pubmed: 27899820
Phytomedicine. 2005 Jun;12(6-7):510-3
pubmed: 16008130
Sci Rep. 2019 Apr 11;9(1):5935
pubmed: 30976058
Int J Parasitol. 1998 Mar;28(3):395-411
pubmed: 9559358
Expert Rev Anti Infect Ther. 2013 Dec;11(12):1363-76
pubmed: 24180514
ChemMedChem. 2006 Nov;1(11):1229-36
pubmed: 16991174
ChemMedChem. 2016 Jun 6;11(11):1117-21
pubmed: 27218427
Anticancer Drugs. 1997 Jan;8(1):3-16
pubmed: 9147608
EMBO J. 2015 Jan 13;34(2):200-17
pubmed: 25476449
Int J Parasitol. 2000 Nov;30(12-13):1339-49
pubmed: 11113259
J Chem Inf Model. 2010 Apr 26;50(4):572-84
pubmed: 20235588
J Vet Pharmacol Ther. 1990 Sep;13(3):223-47
pubmed: 2231864
Apoptosis. 2011 Apr;16(4):404-24
pubmed: 21311976
Parasitology. 2005 Aug;131(Pt 2):247-54
pubmed: 16145941
J Med Chem. 2001 Jun 7;44(12):1841-6
pubmed: 11384230
Nat Commun. 2015 Jun 25;6:7485
pubmed: 26108372
J Med Chem. 2000 Oct 19;43(21):3867-77
pubmed: 11052792
J Nat Prod. 2001 Jan;64(1):65-70
pubmed: 11170668