New classes of potent heparanase inhibitors from ligand-based virtual screening.
Heparanase
heparan sulphate
virtual screening
Journal
Journal of enzyme inhibition and medicinal chemistry
ISSN: 1475-6374
Titre abrégé: J Enzyme Inhib Med Chem
Pays: England
ID NLM: 101150203
Informations de publication
Date de publication:
Dec 2020
Dec 2020
Historique:
entrez:
10
9
2020
pubmed:
11
9
2020
medline:
1
5
2021
Statut:
ppublish
Résumé
Heparanase is a validated target in cancer therapy and a potential target for several inflammatory pathologies. A ligand-based virtual screening of commercial libraries was performed to expand the chemical space of small-molecule inhibitors. The screening was based on similarity with known inhibitors and was performed in several runs, starting from literature compounds and progressing through newly discovered inhibitors. Among the fifty-five tested compounds, nineteen had IC
Identifiants
pubmed: 32907434
doi: 10.1080/14756366.2020.1811701
pmc: PMC7534336
doi:
Substances chimiques
Amides
0
Enzyme Inhibitors
0
Ligands
0
heparanase
EC 3.2.1.-
Glucuronidase
EC 3.2.1.31
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
1685-1696Références
Oncologist. 2017 Dec;22(12):1429-e139
pubmed: 29158367
Invasion Metastasis. 1995;15(5-6):222-31
pubmed: 8765197
Mini Rev Med Chem. 2017;17(6):541-548
pubmed: 27804885
Br J Cancer. 2018 Apr;118(8):1035-1041
pubmed: 29531325
Mol Cancer Ther. 2004 Sep;3(9):1069-77
pubmed: 15367701
Tumour Biol. 2016 Mar;37(3):2987-98
pubmed: 26415733
Int Rev Cell Mol Biol. 2016;325:215-73
pubmed: 27241222
Bioorg Med Chem Lett. 2006 Jan 15;16(2):404-8
pubmed: 16246551
Transcription. 2012 May-Jun;3(3):130-45
pubmed: 22771948
BMC Cancer. 2017 Mar 31;17(1):235
pubmed: 28359266
Matrix Biol. 2016 Sep;55:22-34
pubmed: 27016342
Lab Invest. 2004 May;84(5):535-44
pubmed: 15034597
J Med Chem. 2010 Apr 8;53(7):2719-40
pubmed: 20131845
J Mol Graph Model. 2010 Sep;29(2):157-70
pubmed: 20579912
PLoS One. 2009;4(3):e4947
pubmed: 19305494
Biochemistry. 2004 Feb 24;43(7):1862-73
pubmed: 14967027
Expert Opin Ther Targets. 2013 Aug;17(8):965-75
pubmed: 23789629
Bioorg Med Chem Lett. 2004 Jun 21;14(12):3269-73
pubmed: 15149688
Connect Tissue Res. 2015;56(4):272-80
pubmed: 26076122
J Biol Chem. 2005 May 27;280(21):20457-66
pubmed: 15760902
Bioorg Med Chem Lett. 2006 Jan 15;16(2):409-12
pubmed: 16246560
Cancer Res. 2003 Nov 15;63(22):7733-41
pubmed: 14633698
Anal Biochem. 2010 Jan 1;396(1):112-6
pubmed: 19748475
Biochim Biophys Acta. 2001 Mar 21;1471(3):M99-108
pubmed: 11250066
Drug Resist Updat. 2016 Nov;29:54-75
pubmed: 27912844
Int J Biochem Cell Biol. 2006;38(12):2018-39
pubmed: 16901744
Biochem Pharmacol. 2013 May 15;85(10):1424-32
pubmed: 23466421
J Med Chem. 2018 Aug 9;61(15):6918-6936
pubmed: 30010344
iScience. 2019 May 31;15:360-390
pubmed: 31103854
Clin Appl Thromb Hemost. 2001 Apr;7(2):149-52
pubmed: 11292193
Future Med Chem. 2016 Apr;8(6):647-80
pubmed: 27057774
Bioorg Med Chem Lett. 2005 May 2;15(9):2295-9
pubmed: 15837312
Trends Biochem Sci. 2009 Oct;34(10):511-9
pubmed: 19733083
J Med Chem. 2004 Jan 15;47(2):337-44
pubmed: 14711306
Eur J Med Chem. 2020 May 1;193:112221
pubmed: 32222663
Haematologica. 2018 Oct;103(10):e469-e472
pubmed: 29700168
J Med Chem. 2018 Dec 13;61(23):10834-10859
pubmed: 30412404
Chem Biol Drug Des. 2006 Jan;67(1):5-12
pubmed: 16492144
Nat Protoc. 2006;1(3):1112-6
pubmed: 17406391
Nat Struct Mol Biol. 2015 Dec;22(12):1016-22
pubmed: 26575439
J Med Chem. 2004 Mar 25;47(7):1750-9
pubmed: 15027866
J Chem Inf Comput Sci. 2002 Nov-Dec;42(6):1407-14
pubmed: 12444738
J Chem Inf Model. 2010 May 24;50(5):771-84
pubmed: 20450209
Curr Org Synth. 2020;17(3):243-250
pubmed: 32096746
Bioorg Med Chem Lett. 2017 Sep 15;27(18):4421-4425
pubmed: 28811133
J Biol Chem. 1991 May 25;266(15):9661-6
pubmed: 2033058