Synthesis, DFT and molecular docking of novel (Z)-4-bromo-N-(4-butyl-3 (quinolin-3-yl)thiazol-2(3H)-ylidene)benzamide as elastase inhibitor.
Crystallography
DFT studies
Elastase
Hirshfeld
Molecular docking
Journal
BMC chemistry
ISSN: 2661-801X
Titre abrégé: BMC Chem
Pays: Switzerland
ID NLM: 101741142
Informations de publication
Date de publication:
07 Aug 2023
07 Aug 2023
Historique:
received:
28
01
2023
accepted:
30
06
2023
medline:
8
8
2023
pubmed:
8
8
2023
entrez:
7
8
2023
Statut:
epublish
Résumé
A new compound, C
Identifiants
pubmed: 37550776
doi: 10.1186/s13065-023-00985-4
pii: 10.1186/s13065-023-00985-4
pmc: PMC10408170
doi:
Types de publication
Journal Article
Langues
eng
Pagination
95Subventions
Organisme : Princess Nourah bint Abdulrahman U
ID : PNURSP2023R116
Informations de copyright
© 2023. Springer Nature Switzerland AG.
Références
Arthritis Rheum. 2006 Jul;54(7):2136-46
pubmed: 16802350
J Med Chem. 1980 Jul;23(7):773-80
pubmed: 7401104
Bioorg Chem. 2020 Jul;100:103906
pubmed: 32422387
J Radiat Res. 2001 Dec;42(4):401-8
pubmed: 11951663
Acta Crystallogr D Biol Crystallogr. 1995 Nov 1;51(Pt 6):925-37
pubmed: 15299762
J Med Chem. 1983 Aug;26(8):1158-63
pubmed: 6876084
Bioorg Med Chem. 2022 Jun 1;63:116745
pubmed: 35421709
Trends Parasitol. 2003 Mar;19(3):115-20
pubmed: 12643993
RSC Adv. 2022 Apr 19;12(19):11974-11991
pubmed: 35481107
Eur J Med Chem. 2009 Oct;44(10):3898-902
pubmed: 19423197
J Mol Model. 2017 Jan;23(1):3
pubmed: 27933419
Toxicol Appl Pharmacol. 2001 Nov 15;177(1):77-83
pubmed: 11708903
Molecules. 2015 Jul 22;20(7):13384-421
pubmed: 26205061
IUCrJ. 2015 Aug 14;2(Pt 5):563-74
pubmed: 26306198
Bioorg Med Chem. 2005 Jul 1;13(13):4291-9
pubmed: 15927836
Comput Struct Biotechnol J. 2020 Dec 11;19:37-50
pubmed: 33363708
Bioorg Med Chem Lett. 2011 Apr 15;21(8):2297-301
pubmed: 21421310
Chem Biodivers. 2017 Sep;14(9):
pubmed: 28557244
J Am Chem Soc. 2001 Jun 13;123(23):5418-23
pubmed: 11389621
Biol Pharm Bull. 2007 Jan;30(1):180-3
pubmed: 17202683
Acta Crystallogr E Crystallogr Commun. 2022 Aug 31;78(Pt 9):953-960
pubmed: 36072525
Acta Crystallogr D Biol Crystallogr. 2009 Feb;65(Pt 2):148-55
pubmed: 19171970
Int J Mol Sci. 2022 Oct 29;23(21):
pubmed: 36361953
Acta Crystallogr A Found Adv. 2015 Jan;71(Pt 1):3-8
pubmed: 25537383
Phytother Res. 2011 Oct;25(10):1451-6
pubmed: 21351300
Bioorg Med Chem Lett. 2008 Jul 15;18(14):3925-8
pubmed: 18579373
J Comput Chem. 2010 Jan 30;31(2):455-61
pubmed: 19499576
ACS Omega. 2022 Aug 11;7(33):29452-29464
pubmed: 36033707
J Chem Theory Comput. 2010 May 11;6(5):1509-19
pubmed: 26615687
Acta Crystallogr C Struct Chem. 2015 Jan;71(Pt 1):3-8
pubmed: 25567568
Int J Cosmet Sci. 2017 Jun;39(3):241-247
pubmed: 27731897
Chem Commun (Camb). 2007 Oct 7;(37):3814-6
pubmed: 18217656
J Biomol Struct Dyn. 2023 Aug-Sep;41(14):6894-6908
pubmed: 35983608
J Med Chem. 2006 Jun 15;49(12):3645-52
pubmed: 16759106
RSC Adv. 2020 Jun 2;10(35):20837-20851
pubmed: 35517754
Methods Mol Biol. 2017;1607:627-641
pubmed: 28573592
J Mol Model. 2021 May 20;27(6):173
pubmed: 34014420
Sci Rep. 2022 Apr 18;12(1):6404
pubmed: 35436996
Pol J Pharmacol. 2002 Jan-Feb;54(1):55-9
pubmed: 12020044
Vascul Pharmacol. 2018 Jan;100:1-19
pubmed: 28579545
Spectrochim Acta A Mol Biomol Spectrosc. 2016 Jan 15;153:625-36
pubmed: 26452098
J Chem Inf Model. 2011 Oct 24;51(10):2778-86
pubmed: 21919503
Cell Biochem Biophys. 2009;55(1):1-23
pubmed: 19548119